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- 1. J. Appl. Phys. 94, 1 (2003) , “Negative bias temperature instability: Road to cross in deep submicron silicon semiconductor manufacturing”,We present an overview of negative bias temperature instability (NBTI) commonly observed in p-channel metaloxidesemiconductor field-effect transistors when stressed with negative gate voltages at elevated temperatures. We discuss the results of such stress on device and circuit... (Read more)
- 2. J. Appl. Phys. 100, 094108 (2006) , “The effect of interfacial layer properties on the performance of Hf-based gate stack devices”, G. Bersuker, C. S. Park, J. Barnett, P. S. Lysaght, P. D. Kirsch, C. D. Young, R. Choi, B. H. Lee, B. Foran, K. van Benthem, S. J. Pennycook, P. M. Lenahan, and J. T. RyanThe influence of Hf-based dielectrics on the underlying SiO2 interfacial layer (IL) in high-k gate stacks is investigated. An increase in the IL dielectric constant, which correlates to an increase of the positive fixed charge density in the IL, is found to depend on the starting,... (Read more)
- 3. Nature 396, 58-60 (1998) , “Interface structure between silicon and its oxide by first-principles molecular dynamics”, A. Pasquarello, M. S. Hybertsen, R. CarThe requirement for increasingly thin (<50 Å) insulating oxide layers in silicon-based electronic devices highlights the importance of characterizing the Si–SiO2 interface structure at the atomic scale. Such a characterization relies to a large extent on an understanding of the atomic-scale mechanisms that govern the oxidation process. The widely used Deal–Grove model invokes a two-step process in which oxygen first diffuses through the amorphous oxide network before attacking the silicon substrate, resulting in the formation of new oxide at the buried interface1. But it remains unclear how such a process can yield the observed near-perfect interface2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12. Here we use first-principles molecular dynamics13, 14, 15 to generate a model interface structure by simulating the oxidation of three silicon layers. The resulting structure reveals an unexpected excess of silicon atoms at the interface, yet shows no bonding defects. Changes in the bonding network near the interface occur during the simulation via transient exchange events wherein oxygen atoms are momentarily bonded to three silicon atoms — this mechanism enables the interface to evolve without leaving dangling bonds. (Read more)
- 4. Lattice Defects in Semiconductors 23, 1-22 (1975) , Institute of Physics, London , “EPR Studies of the Lattice Vacancy and Low-Temperature Damage Processes in Silocon”, G. D. Watkins.EPR studies of silicon irradiated at 20.4 K and 4.2 K by 1.5 MeV and 46 MeV electrons are described. In 46 MeV irradiations the dominant defects formed appear to be divavancies and other multiple defect aggregates which liberate vacancies throughout the anneal to room temperature as they reorder, recombine, etc. For 1.5 MeV irradiations group III atoms play a vital role in p- and n-type materials in trapping interstitials and stabilizing damage. Carbon and oxygen are not effective interstitial traps at these temperatures. Evidence of limited vacancy migration during irradiation is also cited. Two distinct excited configurations of vacancy-oxygen pairs are identified as precursors to A-centre formation in n-type silicon. The kinetics for their conversion to A-centres depends strongly upon the Fermi level as does the isolated vacancy migration energy whhich is measured to be 0.18 ± 0.02 eV for the V= charge state. The vacancy has four charge states, V+, V0, V- and V=. Kinetics for hole release from V+ reveals an activation barrier of 0.057 eV. The concentration of V+ at 20.4 K in boron-doped material indicates the corresponding donor level even closer to the band edge, approximately EV + 0.039 eV. Jahn-Teller energies for V0, V+, and V- are estimated from stress-alignment studies and confirmed to be large. Kinetics studies for reorientation from one Jahn-Teller distortion to another are also described for each charge state.
- 5. phys. stat. sol. (a) 168, 73 (1998) , “Self-Interstitials in Silicon Irradiated with Light Ions”, B. N. Mukashev, Kh. A. Abdullin, Yu. V. Gorelkinskii.The behavior of self-interstitials in silicon which was irradiated with light ions (protons and -particles) and electrons was explored by monitoring known impurity interstitial centers (Ci, Ali, (Si-O)i) with deep level transient spectroscopy (DLTS) and electron... (Read more)
- 6. Semicond. Sci. Technol. 11, 1696-1703 (1996) , “Metastable oxygen - silicon interstitial complex in crystalline silicon”, Kh. A. Abdullin, B. N. Mukashev, Yu. V. Gorelkinskii.A new metastable complex in monocrystalline silicon irradiated at with protons has been studied. Electron paramagnetic resonance (EPR) Si-AA13 ( symmetry) and Si-AA14 ( symmetry) spectra as well as the known Si-A18 spectrum originate from different molecular configurations of the complex. A... (Read more)
- 7. Mater. Sci. Eng. B 58, 171-178 (1999) , “Self-Interstitial Related Reactions in Silicon Irradiated by Light Ions”, B. N. Mukashev, Kh. A. Abdullin, Yu. V. Gorelkinskii and S. Zh. TokmoldinRecent deep level transient spectroscopy (DLTS), electron paramagnetic resonance (EPR) and infrared (IR) spectroscopy data on interactions of self-interstitial with carbon, aluminium, oxygen and hydrogen in silicon irradiated by light ions are reviewed. Self-interstitial behaviour in silicon was... (Read more)
- 8. Mater. Sci. Eng. B 36, 77 (1996) , “New Oxygen-Related EPR Spectra in Proton-Irradiated Silicon”, Kh. A. Abdullin, B. N. Mukashev, A. M. Makhov and Yu. V. GorelkinskiiAn electron-paramagnetic resonance (EPR) study of proton-irradiated silicon has revealed two new EPR spectra labeled Si-AA13 and Si-AA14. Spectrum AA13 has C3v symmetry (g = 1.9985 and g = 2.0024 ± 0.0002), AA14 C1 symmetry. These spectra correspond to positive (B+) and negative (B−)... (Read more)
- 9. Phys .Rev. Lett. 92, 178302 (2004) , “Nonvolatile Memory with Multilevel Switching: A Basic Model”, M. J. Rozenberg, I. H. Inoue, and M. J. SánchezThere is a current upsurge in research on nonvolatile two-terminal resistance random access memory (RRAM) for next generation electronic applications. The RRAM is composed of a simple sandwich of a semiconductor with two metal electrodes. We introduce here an initial model for RRAM with the... (Read more)
- 10. Jpn. J. Appl. Phys. 24, 279 (1985) , “Solubility and Diffusion Coefficient of Oxygen in Silicon ”, Yoshiko Itoh and Tadashi NozakiThe solubility and diffusion coefficient of oxygen in silicon between 1000°C and 1375°C were examined by charged particle activation analysis with the 16O(3He, p)18F reaction, in which oxygen was activated with an equal probability over the depth of up to 250... (Read more)
- 11. Appl. Phys. Lett. 93, 113504 (2008) , “Voltage polarity dependent low-power and high-speed resistance switching in CoO resistance random access memory with Ta electrode”, Hisashi Shima, Fumiyoshi Takano, Hidenobu Muramatsu, Hiro Akinaga, Yukio Tamai, Isao H. Inque, and Hidenori Takagi,Structural and resistance switching properties were investigated in the CoO resistance random access memory (RRAM) with the Ta electrode. The intermediate layer consisting of Co and Ta oxides was confirmed at the interface by the transmission electron microscopy and electron energy loss... (Read more)
- 12. J. Cryst. Growth 264, 1-6 (2004) , “Ammonolysis of Ga2O3 and its application to the sublimation source for the growth of GaN film”, Y. J. Park , C. S. Oh , T. H. Yeom, Y. M. YuWe have observed the nagnetic resonance of conduction electrons in n-type indium antimonide, by the "heating" of the electron kinetic-energy temperature via the slsctron spins. This is the first direct evidence suggesting a contribution of spin-orbit coupling to relaxation in this system. In a steady-state spin-resonance experiment, a power PS=(M0=MZ)H/T1 is transferred to the systems(reservoirs) towards which the spins relax. Here, M0 is the equilibrium magnetization, MZ the component of the magnetization along the magnetic field H, and T1 the relaxation time. The reservoir of interest in our case is the kinetic energy of the eledtrons, and this is detected by an increase in the mobility μ. To our knowledge. this is the first observation of the power flow, due to relaxation, from the spins to a reservoir,applied to the ditection of magnetic resonance of conduction-electron spins. It differs in principle from usual spin-resonance observation methods, which are based on electromagnetic interactions of the spin system, such as the voltage induced in a resonator by the rotating magnetic moment, or again such as power absorption PS=MyHx from the rotating field Hx by the out-of- phase component My.Besides providing information on the relaxation mechanism, the present method (that we call "ralaxation" method) should also in some cases by much more sensitive than the usual "electromagnetic" detection methods. (Read more)
- 13. Eur. Phys. J. Appl. Phys. 27, 13-19 (2004) , “Measurement of process-induced defects in Si sub-micron devices by combination of EDMR and TEM”, T. Umeda, A. Toda, Y. MochizukiProcess-induced defects are a serious issue for modern sub-micron Si LSIs. To characterize such defects, two different techniques are useful: electrically detected magnetic resonance (EDMR) and transmission electron microscope (TEM), which can detect small (point) and extended defects, respectively. We applied EDMR and TEM to the issue of defect-induced leakage currents in dynamic-random-access memory (DRAM) cells. For our DRAM samples (a 0.25- μm-rule series), although TEM showed no extended defects, EDMR successfully detected two types of point defects: V2+O x (Si divacancy-oxygen complexes) and larger Si vacancies (at least larger than V6). We confirmed that these defects are the source of DRAM leakage currents. The observed defects were formed by ion implantation processes, but were more thermally stable than those in bulk Si crystals. The origins of this enhanced stability are attributed to the presence of oxygen atoms and a strong mechanical strain in LSIs. To clarify the origin of the complicated strain in LSI structures, we can directly measure the local-strain distribution in DRAM samples by means of convergent-beam electron diffraction (CBED) using TEM, which provides us with a valuable hint for understanding the formation mechanism of process-induced defects. (Read more)
- 14. J. Catalysis 5, 314-324 (1966) , “ESR investigation of gas-solid interactions* The oxygen-zinc oxide system”, K.M. SancierESR measurements were combined with determinations of the amount of oxygen adsorbed or desorbed on ZnO in order to investigate the relationship between the solid state electronic properties of a semiconductor catalyst and the amounts and the nature of the adsorbed oxygen species. (Read more)
- 15. Solid State Commun. 43, 41 (1982) , “The Neutral Divacancy in Silicon”, E. G. Sieverts, J. W. Corbett.Extended Hückel Theory calculations have been carried out on a cluster of silicon atoms to examine the relative stability of two configurations of the divacancy: (1) two vacancies on adjacent sites, i.e. the "normal" divacancy configuration; and (2) two vacancies separated by two... (Read more)
- 16. Phys. Lett. A 60, 55 (1977) , “Oxygen-vibrational bands in irradiated silicon*1”, Y. H. Lee, J. C. Corelli, J. W. Corbett.A correlation is made between the EPR spectra and the IR absorption bands for the known multivacancy-oxygen complexes in irradiated silicon. (Read more)
- 17. Jpn. J. Appl. Phys. 12, 1307 (1973) , “ESR Studies on Defects and Amorphous Phase in Silicon Produced by Ion Implantation”, K. Murakami, K. Masuda, K. Gamo, S. Namba.Paramagnetic defects have been studied over a wide dose range. At doses>6×1014 P+/cm2, only one isotropic spectrum of g=2.0062±0.0004 which characterizes a continuous amorphous layer is observed. At doses between 0.1 and... (Read more)
- 18. Radiation Damage in Semiconductors 97-113 (1965) , Dunod, Paris , “A Review of EPR Studies in Irradiated Silicon”, G. D. Watkins.1. INTRODUCTION (p.97): 2. THE EPR EXPERIMENT (p.97): 3. RESULTS (p.99): A. The lattice Vacancy (p.99), B. Vacancies Trapped by Other Defects (p.102), C. Vacancy Motion (p.103), D. Interstitial Defects (p.103), E. Other Spectra (p.105), 4. SUMMARY AND CONCLUSION (p.110): 5.ACKNOWLEDGMENTS (p.110):
- 19. Appl. Phys. Lett. 91, 122109 (2007) , “Determining the defect parameters of the deep aluminum-related defect center in silicon”, Philipp Rosenits, Thomas Roth, Stefan W. Glunz, and Svetlana BeljakowaThrough a combined application of two characterization methods, deep-level transient spectroscopy and lifetime spectroscopy, the lifetime-limiting defect level in intentionally aluminum-contaminated Czochralski silicon has been analyzed and a complete set of defect parameters could be obtained. This... (Read more)
- 20. Phys. Rev. Lett. 98, 146403 (2007) , “Evidence for an Oxygen Diffusion Model for the Electric Pulse Induced Resistance Change Effect in Transition-Metal Oxides”, Y. B. Nian, J. Strozier, N. J. Wu, X. Chen, and A. IgnatievElectric-pulse induced resistance hysteresis switching loops for Pr0.7Ca0.3MnO3 perovskite oxide films were found to exhibit an additional sharp “shuttle tail” peak around the negative pulse maximum for films deposited in an oxygen-deficient ambient. The... (Read more)
- 21. Phys. Rev. Lett. 98, 115503 (2007) , “Oxygen Vacancy Clustering and Electron Localization in Oxygen-Deficient SrTiO3: LDA+U Study”, Do Duc Cuong, Bora Lee, Kyeong Mi Choi, Hyo-Shin Ahn, Seungwu Han, and Jaichan LeeWe find, using a local density approximation +Hubbard U method, that oxygen vacancies tend to cluster in a linear way in SrTiO3, a prototypical perovskite oxide, accompanied by strong electron localization at the 3d state of the nearby Ti transition metal ion. The vacancy... (Read more)
- 22. Phys. Rev. B 75, 115206 (2007) , “Local-density-functional calculations of the vacancy-oxygen center in Ge”, A. Carvalho, R. Jones, J. Coutinho, V. J. B. Torres, S. Öberg, J. M. Campanera Alsina, M. Shaw, and P. R. BriddonWe carry out a comprehensive density-functional study of the vacancy-oxygen (VO) center in germanium using large H-terminated Ge clusters. The importance of a nonlinear core correction to account for the involvement of the 3d electrons in Ge-O bonds is discussed. We calculate the electrical... (Read more)
- 23. Phys. Rev. B 74, 235207 (2006) , “Vacancy-enhanced ferromagnetism in Fe-doped rutile TiO2”, Jun Chen, Paul Rulis, Lizhi Ouyang, S. Satpathy, and W. Y. ChingBased on a series of supercell density functional calculations of Fe-doped TiO2 both with and without O vacancy (VO), we show that VO plays an important role in determining the magnetic properties of the dilute magnetic semiconductors (DMS). Without... (Read more)
- 24. Phys. Rev. B 74, 233201 (2006) , “Electronic and magnetic properties of V-doped anatase TiO2 from first principles”, Xiaosong Du, Qunxiang Li, Haibin Su, and Jinlong YangWe report a first-principles study on the geometric, electronic, and magnetic properties of V-doped anatase TiO2. The DFT+U (Hubbard coefficient) approach predicts semiconductor band structures for Ti1−xVxO2 (x=6.25% and... (Read more)
- 25. Phys. Rev. B 74, 144432 (2006) , “Role of defects in ferromagnetism in Zn1−xCoxO: A hybrid density-functional study”, C. H. PattersonExperimental studies of Zn1−xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1−xCoxO can change its magnetic... (Read more)
- 26. Phys. Rev. B 74, 165203 (2006) , “Isotopic-mass dependence of the A, B, and C excitonic band gaps in ZnO at low temperatures”, S. Tsoi, X. Lu, A. K. Ramdas, H. Alawadhi, M. Grimsditch, M. Cardona, and R. LauckLow temperature wavelength-modulated reflectivity measurements of isotopically engineered ZnO samples have yielded the dependence of their A, B, and C excitonic band gaps on the isotopic masses of Zn and O. The observed dependence is analyzed in terms of the band gap renormalization by zero-point... (Read more)
- 27. Phys. Rev. B 74, 174407 (2006) , “Superexchange in dilute magnetic dielectrics: Application to (Ti,Co)O2”, K. Kikoin and V. FleurovWe extend the model of ferromagnetic superexchange in dilute magnetic semiconductors to the ferromagnetically ordered highly insulating compounds (dilute magnetic dielectrics). The intrinsic ferromagnetism without free carriers is observed in oxygen-deficient films of anatase TiO2 doped... (Read more)
- 28. Phys. Rev. Lett. 98, 216803 (2007) , “High Mobility in LaAlO3/SrTiO3 Heterostructures: Origin, Dimensionality, and Perspectives”, G. Herranz, M. Basletić, M. Bibes, C. Carrétéro, E. Tafra, E. Jacquet, K. Bouzehouane, C. Deranlot, A. Hamzić, J.-M. Broto, A. Barthélémy, and A. FertWe have investigated the dimensionality and origin of the magnetotransport properties of LaAlO3 films epitaxially grown on TiO2-terminated SrTiO3(001) substrates. High-mobility conduction is observed at low deposition oxygen pressures... (Read more)
- 29. Phys. Rev. Lett. 98, 137202 (2007) , “Magnetizing Oxides by Substituting Nitrogen for Oxygen”, I. S. Elfimov, A. Rusydi, S. I. Csiszar, Z. Hu, H. H. Hsieh, H.-J. Lin, C. T. Chen, R. Liang, and G. A. SawatzkyWe describe a possible pathway to new magnetic materials with no conventional magnetic elements present. The substitution of nitrogen for oxygen in simple nonmagnetic oxides leads to holes in N 2p states which form local magnetic moments. Because of the very large Hund's rule coupling of... (Read more)
- 30. Phys. Rev. Lett. 98, 196802 (2007) , “Origin of Charge Density at LaAlO3 on SrTiO3 Heterointerfaces: Possibility of Intrinsic Doping”, Wolter Siemons, Gertjan Koster, Hideki Yamamoto, Walter A. Harrison, Gerald Lucovsky, Theodore H. Geballe, Dave H. A. Blank, and Malcolm R. BeasleyAs discovered by Ohtomo and Hwang, a large sheet charge density with high mobility exists at the interface between SrTiO3 and LaAlO3. Based on transport, spectroscopic, and oxygen-annealing experiments, we conclude that extrinsic defects in the form of oxygen vacancies... (Read more)
- 31. Phys. Rev. Lett. 98, 196101 (2007) , “Oxygen Vacancies in High Dielectric Constant Oxide-Semiconductor Films”, Supratik Guha and Vijay NarayananWe provide evidence that the oxygen vacancy is a dominant intrinsic electronic defect in nanometer scaled hafnium oxide dielectric films on silicon, relevant to microelectronics technology. We demonstrate this by developing a general model for the kinetics of oxygen vacancy formation in... (Read more)
- 32. Phys. Rev. B 74, 155208 (2006) , “Vibrational spectra of vitreous germania from first-principles”, Luigi Giacomazzi, P. Umari, and Alfredo PasquarelloWe report on a first-principles investigation of the structural and vibrational properties of vitreous germania (v-GeO2). Our work focuses on a periodic model structure of 168 atoms, but three smaller models are also studied for comparison. We first carry out a detailed structural... (Read more)
- 33. Phys. Rev. B 74, 153403 (2006) , “Doping and the unique role of vacancies in promoting the magnetic ground state in carbon nanotubes and C60 polymers”, Antonis N. Andriotis, R. Michael Sheetz, and Madhu MenonThe role of various types of defects in establishing the magnetic properties of the C60-based polymers and the single-wall carbon nanotubes is investigated. Comparing the role of carbon vacancies, and that of substitutional impurity atoms X (X=N, B, O, Si, P, and S) in... (Read more)
- 34. Phys. Rev. B 74, 184117 (2006) , “Ab initio thermodynamic properties of point defects and O-vacancy diffusion in Mg spinels”, Zbigniew odziana and Jacek PiechotaWe report ab initio plane wave density functional theory studies of thermodynamic properties of isolated cation substitutions and oxygen vacancies in magnesium spinel, MgAl2O4. The formation enthalpy of Ca, Cu, and Zn substitutions of Mg cation indicate that transition... (Read more)
- 35. Phys. Rev. B 75, 195215 (2007) , “Effect of Co and O defects on the magnetism in Co-doped ZnO: Experiment and theory”, G. S. Chang, E. Z. Kurmaev, D. W. Boukhvalov, L. D. Finkelstein, S. Colis, T. M. Pedersen, A. Moewes, and A. DiniaThe electronic structure of Zn1−xCoxO (x=0.02, 0.06, and 0.10) diluted magnetic semiconductors is investigated using soft x-ray emission spectroscopy and first-principles calculations. X-ray absorption and emission measurements reveal that most Co... (Read more)
- 36. Phys. Rev. B 75, 144404 (2007) , “Ferromagnetism in Fe-doped ZnO nanocrystals: Experiment and theory”, Debjani Karmakar, S. K. Mandal, R. M. Kadam, P. L. Paulose, A. K. Rajarajan, T. K. Nath, A. K. Das, I. Dasgupta, and G. P. DasFe-doped ZnO nanocrystals are successfully synthesized and structurally characterized by using x-ray diffraction and transmission electron microscopy. Magnetization measurements on the same system reveal a ferromagnetic to paramagnetic transition temperature above 450 K with a low-temperature... (Read more)
- 37. Phys. Rev. B 75, 144102 (2007) , “Theoretical investigation of nitrogen substitution in cubic zirconia”, Thomas BredowNitrogen substitution of oxygen ions in cubic zirconia was studied theoretically at density functional level. Nitrogen contents of 12.5 and 3.1% were studied with Zr8O16−mN2 and Zr32O64−mN2 supercells. For... (Read more)
- 38. Phys. Rev. B 75, 024205 (2007) , “Mechanical strength and coordination defects in compressed silica glass: Molecular dynamics simulations”, Yunfeng Liang, Caetano R. Miranda, and Sandro ScandoloContrary to ordinary solids, which are normally known to harden by compression, the compressibility of SiO2 (silica) glass has a maximum at about 2–4 GPa and its mechanical strength shows a minimum around 10 GPa. At this pressure, the compression of silica glass undergoes a change... (Read more)
- 39. Phys. Rev. B 75, 014102 (2007) , “First-principles study of vacancy formation in hydroxyapatite”, Katsuyuki Matsunaga and Akihide KuwabaraFirst-principles plane-wave calculations were performed for hydroxyapatite (HAp) in order to investigate the electronic structure and vacancy formation mechanisms. The HAp unit cell contains PO4 tetrahedra and OH groups formed by covalent P-O and H-O bonds. Ca ions play a role for... (Read more)
- 40. Phys. Rev. Lett. 98, 045501 (2007) , “Dopability, Intrinsic Conductivity, and Nonstoichiometry of Transparent Conducting Oxides”, Stephan Lany and Alex ZungerExisting defect models for In2O3 and ZnO are inconclusive about the origin of conductivity, nonstoichiometry, and coloration. We apply systematic corrections to first-principles calculated formation energies ΔH, and validate our theoretical defect model against... (Read more)
- 41. Phys. Rev. B 75, 075206 (2007) , “Isotope dependence of the vibrational lifetimes of light impurities in Si from first principles”, D. West and S. K. EstreicherThe vibrational lifetimes of a range of H-related defects and interstitial O (Oi) in Si, including isotopic substitutions, are calculated from first principles as a function of temperature. The theoretical approach is explained in detail. The vibrational lifetimes of... (Read more)
- 42. Phys. Rev. B 75, 075202 (2007) , “Theoretical study of Li and Na as n-type dopants for diamond”, J. P. Goss and P. R. BriddonPhosphorus is the n-type dopant of choice for diamond, but results in a deep donor level and alternatives are being sought. One possibility is the incorporation of interstitial alkali metal impurities such as Li and Na. We present the results of density-functional calculations used to predict... (Read more)
- 43. Phys. Rev. B 75, 085423 (2007) , “Room-temperature atmospheric oxidation of Si nanocrystals after HF etching”, X. D. Pi, L. Mangolini, S. A. Campbell, and U. KortshagenThe effect of HF etching of the silicon oxide shell covering the surface of Si nanocrystals (NCs) on the subsequent room-temperature atmospheric oxidation of Si-NCs has been investigated by means of photoluminescence measurements, Fourier transform infrared spectroscopy, and electron paramagnetic... (Read more)
- 44. Phys. Rev. Lett. 97, 256602 (2006) , “Bistability-Mediated Carrier Recombination at Light-Induced Boron-Oxygen Complexes in Silicon”, Mao-Hua Du, Howard M. Branz, Richard S. Crandall, and S. B. ZhangA first-principles study of the BO2 complex in B-doped Czochralski Si reveals a defect-bistability-mediated carrier recombination mechanism, which contrasts with the standard fixed-level Shockley-Read-Hall model of recombination. An O2 dimer distant from B causes only weak... (Read more)
- 45. Appl. Phys. Lett. 87, 022903 (2005) , “Electron spin resonance investigation of oxygen-vacancy-related defects in BaTiO3 thin films”, V. V. Laguta, A. M. Slipenyuk, I. P. Bykov, M. D. Glinchuk, M. Maglione, D. Michau, J. Rosa, L. JastrabikThe Ti3+ center, based on a regular Ti site perturbed by an oxygen vacancy (VO), is identified by electron spin resonance (ESR) in textured BaTiO3 films. The center shows tetragonal symmetry along cubic 100 axes with g-factors: g=1.997,... (Read more)
- 46. J. Appl. Phys. 100, 033525 (2006) , “Determination of interstitial oxygen concentration in germanium by infrared absorption”, V. V. Litvinov, B. G. Svensson, L. I. Murin, J. L. Lindström, V. P. Markevich, and A. R. PeakerThe intensities of infrared absorption due to the asymmetric stretching vibrations of interstitial oxygen atoms in Ge crystals enriched with 16O and 18O isotopes have been compared with oxygen concentrations determined by means of secondary ion mass spectrometry. For Ge samples... (Read more)
- 47. Z. Physik B 23, 171-181 (1976) , “Intrinsic Defects in Electron Irradiated Zinc Oxide”, B. Schallenberge, A. Hausmann
- 48. Appl. Phys. Lett. 90, 072502 (2007) , “Effect of oxygen vacancies on spin-dependent tunneling in Fe/MgO/Fe magnetic tunnel junctions”, J. P. Velev, K. D. Belashchenko, S. S. Jaswal, and E. Y. TsymbalFirst-principles calculations based on density functional theory are used to elucidate the effect of O vacancies, forming F centers, on spin-dependent tunneling in Fe/MgO/Fe(001) magnetic tunnel junctions. O vacancies produce occupied localized s states and unoccupied resonant p... (Read more)
- 49. Phys. Rev. B 75, 024109 (2007) , “Optical and EPR properties of point defects at a crystalline silica surface: Ab initio embedded-cluster calculations”, L. Giordano, P. V. Sushko, G. Pacchioni, and A. L. ShlugerWe have studied the structure and spectroscopic properties of the paramagnetic nonbridging oxygen hole center and of the Egamma[prime]" align="middle"> center at the hydroxylated silica surfaces using density functional theory and an embedded-cluster model. To investigate the... (Read more)
- 50. Appl. Phys. Lett. 89, 262904 (2006) , “Oxygen vacancy in monoclinic HfO2: A consistent interpretation of trap assisted conduction, direct electron injection, and optical absorption experiments”, Peter Broqvist and Alfredo PasquarelloThe authors calculate energy levels associated with the oxygen vacancy in monoclinic HfO2 using a hybrid density functional which accurately reproduces the experimental band gap. The most stable charge states are obtained for varying Fermi level in the HfO2 band gap. To compare... (Read more)
- 51. Appl. Phys. Lett. 89, 262112 (2006) , “Identification of oxygen and zinc vacancy optical signals in ZnO”, T. Moe Børseth, B. G. Svensson, A. Yu. Kuznetsov, P. Klason, Q. X. Zhao, and M. WillanderPhotoluminescence spectroscopy has been used to study single crystalline ZnO samples systematically annealed in inert, Zn-rich and O-rich atmospheres. A striking correlation is observed between the choice of annealing ambient and the position of the deep band emission (DBE) often detected in ZnO. In... (Read more)
- 52. Appl. Phys. Lett. 89, 202904 (2006) , “Effects of O vacancies and C doping on dielectric properties of ZrO2: A first-principles study”, Gargi Dutta, K. P. S. S. Hembram, G. Mohan Rao, and Umesh V. WaghmareThe authors determine electronic properties, structural stability, and dielectric response of zirconia (ZrO2) with oxygen vacancies (O vacancies) and carbon doping (C doping) using first-principles density functional theory calculations based on pseudopotentials and a plane wave basis.... (Read more)
- 53. Appl. Phys. Lett. 89, 172906 (2006) , “Oxygen vacancy motion in Er-doped barium strontium titanate thin films”, Junling Wang and Susan Trolier-McKinstryAmphoteric dopants are widely used in BaTiO3-based dielectrics to improve capacitor reliability. In this work, an analogous approach was explored for barium strontium titanate thin films. Ba0.7Sr0.3TiO3 thin films were prepared by chemical solution... (Read more)
- 54. J. Appl. Phys. 100, 033517 (2006) , “Sources of optical absorption between 5.7 and 5.9 eV in silica implanted with Si or O”, R. H. Magruder, III, A. Stesmans, K. Clémer, R. A. Weeks, and R. A. WellerTo determine if the only source of optical absorption between 5.8 and 5.9 eV is the E center (absorbing at 5.85 eV) two separate suites of type III silica samples were implanted, one with Si and one with O. Several ion energies were used for implantation to produce layers 600 and... (Read more)
- 55. Appl. Phys. Lett. 46, 787 (1985) , “Absence of oxygen diffusion during hydrogen passivation of shallow-acceptor impurities in single-crystal silicon”, N. M. Johnson and M. D. MoyerIt was recently proposed that hydrogen compensation of shallow-acceptor impurities in single-crystal silicon is due to the diffusion of both monatomic oxygen and hydrogen into silicon which combine at acceptor sites to form neutral acceptor-OH complexes. It is shown here that oxygen does not diffuse... (Read more)
- 56. Jpn. J. Appl. Phys. 34, 5483-5488 (1995) , “Effects of Grown-in Hydrogen on Lifetime of Czochralski Silicon Crystals ”, Akito HaraI studied the effects of grown-in hydrogen on the lifetime of Czochralski-grown silicon crystals. It was found that grown-in hydrogen degraded the electrical properties of Czochralski-grown silicon crystals by enhancing the formation of recombination centers, which had a high thermal stability... (Read more)
- 57. J. Magn. Magn. Mater. 302, 118 (2005) , “Magnetism origin of Mn-doped ZnO nanoclusters”, J.H. Li, D.Z. Shen, J.Y. Zhang, D.X. Zhao, B.S. Li, Y.M. Lu, Y.C. Liu , X.W. FanZnMnO nanoclusters were synthesized by the sol–gel method. The structural and magnetic characters were investigated. The XRD spectrum shows ZnMnO nanoclusters are hexagonal wurtzite structures and a small quantity of ZnMn2O4 phase is also present in the spectrum. The percentages of Zn and Mn... (Read more)
- 58. Phys. Rev. Lett. 83, 372 (1999) , “Hydrogen Electrochemistry and Stress-Induced Leakage Current in Silica”, Peter E. Bl?chl and James H. StathisHydrogen-related defects in oxygen-deficient silica, representing the material of a thermal gate oxide, are analyzed using first-principles calculations. Energetics and charge-state levels of oxygen vacancies, hydrogen, and their complexes in the silica framework are mapped out. The neutral hydrogen... (Read more)
- 59. Appl. Phys. Lett. 89, 152904 (2006) , “First principles calculations of oxygen vacancy passivation by fluorine in hafnium oxide”, Wei Chen, Qing-Qing Sun, Shi-Jin Ding, David Wei Zhang, and Li-Kang WangThe fluorine incorporation into HfO2 with oxygen vacancies has been investigated using first principles calculations. The authors show that atomic fluorine can efficiently passivate the neutral oxygen vacancy with excess energies of 4.98 and 4.39 eV for threefold- and... (Read more)
- 60. J. Appl. Phys. 100, 023525 (2006) , “Evolution of erbium lattice locations in silicon: Effects of thermal annealing and codoped impurities (carbon, nitrogen, oxygen, and fluorine)”, X. T. Ren and M. B. HuangThe effects of thermal annealing and codoped impurities including carbon, nitrogen, oxygen, and fluorine, on the occupation of erbium lattice locations in Si, have been investigated in detail. Ion channeling measurements indicate that ion-implanted Er can mainly occupy two distinct lattice locations... (Read more)
- 61. Appl. Phys. Lett. 83, 3407-3409 (2003) , “Electron spin resonance observation of trapped electron centers in atomic-layer-deposited hafnium oxide on Si”, A. Y. Kang, P. M. Lenahan, J. F. Conley Jr.We observed two paramagnetic defects in thin films of HfO2 on silicon with electron spin resonance. Both appear after photoinjecting electrons into the dielectric. Strong spectroscopic evidence links one spectrum to an O2-" align="middle"> defect. A second spectrum is... (Read more)
- 62. J. Appl. Phys. 99, 044105 (2006) , “Passivation of oxygen vacancy states in HfO2 by nitrogen”, K. Xiong, J. Robertson, and S. J. ClarkNitrogen is known to reduce leakage currents and charge trapping in high-dielectric-constant gate oxides such as HfO2. We show that this occurs because nitrogen, substituting for oxygen atoms next to oxygen vacancy sites, repels the occupied gap states due to the neutral and positively... (Read more)
- 63. Appl. Phys. Lett. 87, 062105 (2005) , “Negative-U property of oxygen vacancy in cubic HfO2”, Y. P. Feng, A. T. L. Lim, M. F. LiOxygen vacancy in cubic HfO2 was investigated using first-principles calculation based on density functional theory and generalized gradient approximation. Five different charge states (V++, V+, V0, V, and... (Read more)
- 64. Appl. Phys. Lett. 88, 162107 (2006) , “Physical origin of threshold voltage problems in polycrystalline silicon/HfO2 gate stacks”, Dae Yeon Kim, Joongoo Kang, and K. J. ChangBased on theoretical calculations, we find that at p+ polycrystalline silicon (poly-Si)/HfO2 gates, Si interstitials are easily migrated from the electrode, forming HfSi bonds with a charge transfer to the electrode, and the resulting interface dipole raises the Fermi level... (Read more)
- 65. Appl. Phys. Lett. 88, 182903 (2006) , “Effects of Al addition on the native defects in hafnia”, Q. Li, K. M. Koo, W. M. Lau, P. F. Lee, J. Y. Dai, Z. F. Hou, X. G. GongTwo occupied native defect bands are experimentally detected in pure HfO2. The density of states of band one in the middle of the band gap reduces drastically with the Al addition, while that of band two slightly above the valence-band maximum remains rather unaffected. We attribute the... (Read more)
- 66. Appl. Phys. Lett. 86, 143507 (2005) , “First-principles studies of the intrinsic effect of nitrogen atoms on reduction in gate leakage current through Hf-based high-k dielectrics”, N. Umezawa, K. Shiraishi, T. Ohno, H. Watanabe, T. Chikyow, K. Torii, K. Yamabe, K. Yamada, H. Kitajima, T. ArikadoThe atomistic effects of N atoms on the leakage current through HfO2 high-k gate dielectrics have been studied from first-principles calculations within the framework of a generalized gradient approximation (GGA). It has been found that the intrinsic effects of N atoms drastically... (Read more)
- 67. J. Appl. Phys. 97, 053704 (2005) , “The role of nitrogen-related defects in high-k dielectric oxides: Density-functional studies”, J. L. Gavartin, A. L. Shluger, A. S. Foster, G. I. BersukerUsing ab initio density-functional total energy and molecular-dynamics simulations, we study the effects of various forms of nitrogen postdeposition anneal (PDA) on the electric properties of hafnia in the context of its application as a gate dielectric in field-effect transistors. We... (Read more)
- 68. Phys. Rev. Lett. 89, 135507 (2002) , “Diffusion and Reactions of Hydrogen in F2-Laser-Irradiated SiO2 Glass”, Koichi Kajihara, Linards Skuja, Masahiro Hirano, and Hideo HosonoThe diffusion and reactions of hydrogenous species generated by single-pulsed F2 laser photolysis of SiO-H bond in SiO2 glass were studied in situ between 10 and 330 K. Experimental evidence indicates that atomic hydrogen (H0) becomes mobile even at temperatures as... (Read more)
- 69. Appl. Phys. Lett. 81, 1818 (2002) , “Interface structures generated by negative-bias temperature instability in Si/SiO2 and Si/SiOxNy interfaces”, J. Ushio, T. Maruizumi, K. Kushida-AbdelghafarWe used a density functional method to investigate the mechanism of negative-bias temperature instability (NBTI) and resultant structural changes of Si/SiO2 and Si/SiOxNy interfaces. The reaction energies for the water- and hydrogen-originated... (Read more)
- 70. Appl. Phys. Lett. 89, 082908 (2006) , “Negative oxygen vacancies in HfO2 as charge traps in high-k stacks”, J. L. Gavartin, D. Muñoz Ramo, A. L. Shluger, G. Bersuker, and B. H. LeeThe optical excitation and thermal ionization energies of oxygen vacancies in m-HfO2 are calculated using a non-local density functional theory with atomic basis sets and periodic supercell. The thermal ionization energies of negatively charged V and... (Read more)
- 71. Appl. Phys. Lett. 89, 142914 (2006) , “Defect passivation in HfO2 gate oxide by fluorine”, K. Tse and J. RobertsonThe authors have calculated that fluorine substituting for oxygen gives no gap states in HfO2. This accounts for the good passivation of oxygen vacancies by F seen experimentally. Bonding arguments are used to account for why F may be the most effective passivant in ionic oxides such as... (Read more)
- 72. Appl. Phys. Lett. 88, 253504 (2006) , “Single silicon vacancy-oxygen complex defect and variable retention time phenomenon in dynamic random access memories”, T. Umeda, K. Okonogi, K. Ohyu, S. Tsukada, K. Hamada, S. Fujieda, and Y. MochizukiThe variable retention time phenomenon has recently been highlighted as an important issue in dynamic random access memory (DRAM) technology. Based on electrically detected magnetic resonance and simulation studies, we suggest that a single Si vacancy-oxygen complex defect is responsible for this... (Read more)
- 73. J. Appl. Phys. 94, 7105-7111 (2003) , “Electrically detected magnetic resonance of ion-implantation damage centers in silicon large-scale integrated circuits”, T. Umeda, Y. Mochizuki, K. Okonogi, K. HamadaWe used electrically detected magnetic resonance to study the microscopic structure of ion-implantation-induced point defects that remained in large-scale Si integrated circuits (Si LSIs). Two types of defects were detected in the source/drain (n+-type) region of... (Read more)
- 74. Appl. Phys. Lett. 80, 4753-4755 (2002) , “Characterization of S centers generated by thermal degradation in SiO2 on (100)Si”, A. Stesmans, B. Nouwen, D. Pierreux, and V. V. Afanas'evThe structural degradation of thermal SiO2 on (100)Si under isochronal vacuum annealing in the range Tan = 950 °C1250 °C was monitored by electron spin resonance (ESR) in terms of point defect creation, including... (Read more)
- 75. J. Appl. Phys. 100, 064501 (2006) , “Introduction of defects into HfO2 gate dielectrics by metal-gate deposition studied using x-ray photoelectron spectroscopy and positron annihilation”, A. Uedono, T. Naito, T. Otsuka, K. Shiraishi, K. Yamabe, S. Miyazaki, H. Watanabe, N. Umezawa, T. Chikyow, Y. Akasaka, S. Kamiyama, Y. Nara, and K. YamadaThe impact of TiN deposition on thin HfO2 films formed on Si substrates was studied using x-ray photoelectron spectroscopy and a monoenergetic positron beam. For the predeposition sample, the positrons implanted into Si were found to diffuse toward the HfO2/Si interface under... (Read more)
- 76. J. Vac. Sci. Technol. B 16, 2134-2153 (1998) , “What can electron paramagnetic resonance tell us about the Si/SiO2 system?”, P. M. Lenahan, J. F. Conley, Jr.Electron paramagnetic resonance (EPR) measurements of Si/SiO2 systems began over 30 years ago. Most EPR studies of Si/SiO2 systems have dealt with two families of defects: Pb centers and E centers. Several variants from each group have... (Read more)BPSG PSG Si SiO2| EDMR EPR electric-field-effect electrical-meas. etching gamma-irradiation| 10B 11B 1H 29Si 2D 31P BOHC Boron Deuterium E' E'-delta H(I) Hydrogen Nb Nitrogen Oxygen P1 P2 P4 POHC Pb Pb0 Pb1 Phosphorus Silicon amorphous complex(=3) dangling-bond device dielectric interface pair(=2) | last update: Takahide Umeda
- 77. Phys. Rev. Lett. 97, 135502 (2006) , “29Si Hyperfine Structure of the Eα Center in Amorphous Silicon Dioxide”, G. Buscarino, S. Agnello, and F. M. GelardiWe report a study by electron paramagnetic resonance on the Eα point defect in amorphous silicon dioxide (a-SiO2). Our experiments were performed on γ-ray irradiated oxygen-deficient materials and pointed out that the 29Si... (Read more)
- 78. Phys. Rev. B 73, 235211 (2006) , “Ab initio calculations for the interconversion of optically active defects in amorphous silica”, M. M. G. Alemany and James R. ChelikowskyUsing ab initio calculations on clusters, we have identified a new reaction path between the dicoordinated silicon atom defect and the paramagnetic Egamma[prime]" align="middle"> center in amorphous silica. Under ionizing irradiation, the dicoordinated silicon atom... (Read more)
- 79. Phys. Rev. B 74, 125203 (2006) , “Density functional theory of structural transformations of oxygen-deficient centers in amorphous silica during hole trapping: Structure and formation mechanism of the Egamma[prime]" align="middle"> center”, T. Uchino and T. YokoWe investigate the hole trapping process of a neutral oxygen vacancy in amorphous silicon dioxide (a-SiO2) using cluster calculations based on the density functional theory (DFT) method. We show that trapping a hole at a neutral oxygen vacancy leads to the formation of several... (Read more)
- 80. Phys. Rev. Lett. 86, 5522-5525 (2001) , “E' Centers in Amorphous SiO2 Revisited: A New Look at an Old Problem”, T. Uchino, M. Takahashi, T. YokoWe present theoretical evidence that the paramagnetic E? defect centers in amorphous silicon dioxide ( a-SiO2) do not have the same microscopic structures as those well-defined in the corresponding crystalline counterparts such as ?-quartz. We then present alternative models of... (Read more)
- 81. Phys. Rev. Lett. 86, 4560-4563 (2001) , “Structure and Generation Mechanism of the Peroxy-Radiacal Defect in Amorphous Silica”, T. Uchino, M. Takahashi, and T. YokoWe provide a new model of the peroxy-radical defect in amorphous silica on the basis of quantum-chemical calculations applied to clusters of atoms to model the defect. In this model, the 29Si hyperfine splittings of the peroxy radical arise from a single silicon, in agreement with the... (Read more)
- 82. J. Non-Cryst. Solids 239, 16-48 (1998) , “Optically active oxygen-deficiency-related centers in amorphous silicon dioxide”, Linards SkujaThe spectroscopic properties, structure and interconversions of optically active oxygen-deficiency-related point defects in vitreous silica are reviewed. These defects, the E′-centers (oxygen vacancies with a trapped hole or 3-fold-coordinated silicons), different variants of diamagnetic... (Read more)GeO2 SiO2| EPR PL gamma-irradiation optical-spectroscopy| 0.5-1.0eV 1.0eV~ 1H 2.0eV~ 3.0eV~ 4.0eV~ 5.0eV~(larger) Chlorine E' E'-alpha E'-betha E'-delta E'-gamma Germanium H(I) H(II) Hydrogen ODC ODC(I) ODC(II) OHC Oxygen POR Silicon amorphous dangling-bond dielectric interstitial pair(=2) surface triplet vacancy | last update: Takahide Umeda
- 83. Nucl. Instrum. Methods Phys. Res. B 141, 566-574 (1998) , “Defect formation in amorphous SiO2 by ion implantation: Electronic excitation effects and chemical effects”, H. Hosono, N. MatsunamiIntrinsic defect formation in amorphous (a-) SiO2 by ion implantation was examined with emphasis upon electronic excitation effects and chemical reaction effects. 10 MeV proton beam and boron beam irradiated silica platelets to examine electronic excitation effects and chemical reaction effects. In... (Read more)
- 84. Mater. Sci. Eng. B 54, 38-42 (1998) , “Detection and analysis of 29Si hyperfine structures in ESR spectra of E′ and E′-type centers in SiO2 glasses”, M. Mizuguchi, H. Hosono, H. KawazoeFour sets of ESR doublets with splittings of 9, 23, 26 or 44 mT were observed in dry a-SiO2 (Type IV, OH concentrations1017 cm−3) implanted with 29Si+ to a fluence of 6×1016 cm−2 at 160 keV. These doublets were attributed to the hyperfine structures due to a 29Si nucleus of... (Read more)
- 85. J. Non-Cryst. Solids 179, 1-9 (1994) , “The many varieties of E′ centers: a review”, Robert A. WeeksThree varieties of E′ centers with a spin state, S = 1/2, and with a G-tensor, Gx Gy 2.0003, Gz 2.0018, were identified in the early reports on paramagnetic states in irradiated α-quartz. The atomic structure of two of these had an hydrogen ion (proton) in nearby sites and hence... (Read more)
- 86. J. Non-Cryst. Solids 179, 39-50 (1994) , “Paramagnetic resonance of E′-type centers in Si-implanted amorphous SiO2. Si29 hyperfine structure and characteristics of Zeeman resonances*1”, H. Hosono, H. Kawazoe, K. Oyoshi, S. TanakaElectron paramagnetic resonance spectra were measured on SiO2 glasses implanted with Si ions to a fluence of 6 × 1016 cm−2 at an acceleration voltage of 160 kV. Three sets of doublets with different separation were observed in Si29-implanted substrates and were ascribed to primary... (Read more)
- 87. J. Non-Cryst. Solids 32, 327-338 (1979) , “ELECTRON SPIN RESONANCE AND HOPPING CONDUCTIVITY OF a-SiOx”, E. Holzenk?mpfer, F. -W. Richter, J. Stuke, U. Voget-GroteAmorphous SiOx-layers with O < x < 2 have been prepared by evaporation of Si at oxygen pressures of 10−6 … 10−3 mbar. The composition of the samples was determined by proton backscattering. The band gap, derived from optical measurements, increases with rising oxygen... (Read more)
- 88. J. Non-Cryst. Solids 32, 313-326 (1979) , “OXYGEN-ASSOCIATED TRAPPED-HOLE CENTERS IN HIGH-PURITY FUSED SILICAS”, M. Stapelbroek, D. L. Griscom, E. J. Friebele and G. H. Sigel, Jr.Two distinct oxygen-associated trapped-hole centers (OHCs) are identified in samples of room-temperature γ-irradiated, high-purity fused silica. One, which we label the "wet" OHC, predominates in the high-OH-content (wet) silicas while the other, the "dry" OHC, is more... (Read more)
- 89. J. Non-Cryst. Solids 149, 137-160 (1992) , “Electron spin resonance characterization of self-trapped holes in amorphous silicon dioxide”, David L. GriscomThe electron spin resonance spectra of radiation-induced self-trapped holes (STHs) in amorphous silicon dioxide are isolated by isochromal annealing experiments and computer simulation analyses. Two distinct components, denoted STH1 and STH2 (plus a third component intermediate between the two),... (Read more)
- 90. Phys. Rev. Lett. 51, 423 (1983) , “Creation of Quasistable Lattice Defects by Electronic Excitation in SiO2”, Katsumi Tanimura, Takeshi Tanaka, and Noriaki ItohThe transient volume change of ?-quartz and fused silica induced by irradiation with an electron pulse has been measured above 80 K. It is shown that transient changes of volume and optical absorption due to the E1? centers (oxygen vacancies) decay in parallel and that the... (Read more)
- 91. Phys. Rev. Lett. 67, 2517 (1991) , “Experimental evidence for excitonic mechanism of defect generation in high-purity silica”, T. E. Tsai and D. L. GriscomDirect evidence for the creation of oxygen-vacancy, oxygen-interstitial pairs in SiO2 glasses by an excitonic mechanism is developed from an electron-spin-resonance study of high-purity fused silicas exposed to highly focused 6.4-eV excimer laser light. (Read more)
- 92. Phys. Rev. Lett. 80, 317-320 (1998) , “Experimental Evidence for Frenkel Defect Formation in Amorphous SiO2 by Electronic Excitation”, H. Hosono, H. Kawazoe, N. MatsunamiConcentrations of defects in amorphous SiO2 created by implantation of 10 MeV protons were examined. The depth profile of Si-Si bonds, E? centers, or peroxy radicals (PORs) was close to that of electronic energy loss. Interstitial O2 molecules were identified and... (Read more)
- 93. Phys. Rev. B 67, 195338 (2003) , “Layer-resolved kinetics of Si oxidation investigated using the reflectance difference oscillation method”, T. Yasuda, N. Kumagai, M. Nishizawa, S. Yamasaki, H. Oheda, and K. YamabeDry oxidation kinetics of the Si(001) surface has been investigated using reflectance difference oscillation to resolve atomic-scale phenomena. The activation energy for oxidation has been found to increase as the oxide-Si interface moves in the depth direction, reaching the value for bulk... (Read more)
- 94. Phys. Rev. B 38, 9674-9685 (1988) , “Hyperfine interactions in cluster models of the Pb defect center”, M. Cook, C. T. WhiteHyperfine interactions in the Pb center (denoted schematically as Si3?Si?) at the Si(111)/SiO2 interface have been studied with use of spin-polarized self-consistent multiple-scattering X? calculations on Si22H21/Si6O18... (Read more)
- 95. Phys. Rev. B 42, 11352-11354 (1990) , “Source of 17O hyperfine broadening of the Pb resonance associated with the (111) Si-SiO2 interface”, K. L. BrowerThe Pb center is primarily a silicon dangling-bond type of defect at the (111) Si-SiO2 interface that is observable with electron paramagnetic resonance (EPR). Dry oxidation at 750 ?C of (111) silicon with O2 enriched with 17O (I=5/2) to 51.26% is observed... (Read more)
- 96. Appl. Phys. Lett. 88, 193502 (2006) , “Role of oxygen vacancy in HfO2/SiHfO2/Si(100) interfaces”, D.-Y. Cho, S.-J. Oh, Y. J. Chang, T. W. Noh, R. Jung, J.-C. LeeWe have investigated the interface states in HfO2/SiO2/Si(100) systems that were prepared by using the in situ pulsed laser deposition technique. X-ray photoelectron spectroscopy data revealed that when the HfO2 film thickness exceeds 11 Å, the film... (Read more)
- 97. Appl. Phys. Lett. 88, 012101 (2006) , “The structure of the SiO2/Si(100) interface from a restraint-free search using computer simulations”, Dominik Fischer, Alessandro Curioni, Salomon Billeter, and Wanda AndreoniThe structure of the interface between SiO2 and Si(100) is investigated using the replica-exchange method driven by classical molecular dynamics simulations based on ab initio-derived interatomic potentials. Abrupt interfaces are shown to be unstable, whereas a substoichiometric... (Read more)
- 98. Phys. Rev. Lett. 93, 086102 (2004) , “Reaction of the Oxygen Molecule at the Si(100)–SiO2 Interface During Silicon Oxidation”, Angelo Bongiorno and Alfredo PasquarelloUsing constrained ab initio molecular dynamics, we investigate the reaction of the O2 molecule at the Si(100)SiO2 interface during Si oxidation. The reaction proceeds sequentially through the incorporation of the O2 molecule in a Si-Si bond and the... (Read more)
- 99. Phys. Rev. Lett. 97, 066101 (2006) , “Structure and Interconversion of Oxygen-Vacancy-Related Defects on Amorphous Silica”, Chin-Lung Kuo and Gyeong S. HwangAtomic structure and structural stability of neutral oxygen vacancies on amorphous silica are investigated using combined Monte Carlo and density functional calculations. We find that, unlike their bulk counterparts, the Si-Si dimer configuration of surface oxygen vacancies is likely to be unstable... (Read more)
- 100. Phys. Rev. B 73, 115203 (2006) , “Thermal stability of gamma-irradiation-induced oxygen-deficient centers in silica”, S. Agnello and L. NuccioThe effects of isochronal thermal treatments on three -irradiation-induced point defects, named the E, ODC(II), and H(I) centers, are investigated in various types of commercial silica (a-SiO2). ODC(II) is investigated by means of photoluminescence spectroscopy,... (Read more)
- 101. Appl. Phys. Lett. 87, 261907 (2005) , “Verification of the O–Si–N complex in plasma-enhanced chemical vapor deposition silicon oxynitride films”, S. Naskar, S. D. Wolter, C. A. Bower, B. R. Stoner, J. T. GlassSilicon oxynitride films were deposited using a plasma-enhanced chemical vapor deposition process. The bond configurations of the constituent atoms in the deposited film were analyzed using x-ray photoelectron spectroscopy. Analysis of the Si 2p spectra showed the presence of... (Read more)
- 102. Appl. Phys. Lett. 89, 042503 (2006) , “Evidence for magnetism due to oxygen vacancies in Fe-doped HfO2 thin films”, Nguyen Hoa Hong, Nathalie Poirot, and Joe SakaiFe-doped HfO2 thin films are room temperature ferromagnetic. In comparison with results of the undoped HfO2 films, it seems that the Fe doping is not the main cause for the ferromagnetism but only acts as a catalyst. Experimental results of oxygen annealing and vacuum heat... (Read more)
- 103. J. Appl. Phys. 99, 114509 (2006) , “Influence of residual oxygen impurity in quaternary InAlGaN multiple-quantum-well active layers on emission efficiency of ultraviolet light-emitting diodes on GaN substrates”, Takashi Kyono, Hideki Hirayama, Katsushi Akita, Takao Nakamura, Masahiro Adachi, and Koshi AndoThe influence of residual impurities in quaternary InAlGaN active layers on the emission efficiency of 350 nm band ultraviolet light-emitting diodes on GaN substrates has been investigated. Secondary ion mass spectrometry and capacitance-voltage measurements have revealed that a large amount of... (Read more)
- 104. J. Appl. Phys. 99, 073511 (2006) , “Effects of temperature and flux on oxygen bubble formation in Li borosilicate glass under electron beam irradiation”, Nadège Ollier, Giancarlo Rizza, Bruno Boizot, and Guillaume PetiteOxygen bubble formation and evolution under a 300 keV electron beam are analyzed in a Li borosilicate glass under different irradiation conditions: temperature, flux, and dose. Oxygen bubbles are observed to form in a delimited flux and temperature region with a threshold requirement. This region... (Read more)
- 105. J. Appl. Phys. 99, 013701 (2006) , “Electronically activated boron-oxygen-related recombination centers in crystalline silicon”, Karsten Bothe and Jan SchmidtTwo different boron- and oxygen-related recombination centers are found to be activated in crystalline silicon under illumination or electron injection in the dark, both leading to a severe degradation in the carrier lifetime. While one center forms on a time scale of seconds to minutes, the... (Read more)
- 106. Phys. Rev. B 74, 115118 (2006) , “Optical properties of Cr3+ –doped oxides: Different behavior of two centers in alexandrite”, J. M. García-Lastra, J. A. Aramburu, M. T. Barriuso, and M. MorenoThis work is aimed at explaining the different color exhibited by the two Cr3+ centers in the alexandrite gemstone as well as ruby and emerald. Although the average Cr3+-O2 distance in ruby, emerald, and the Cs center in alexandrite is known... (Read more)
- 107. Phys. Rev. Lett. 97, 116101 (2006) , “Oxygen Migration, Agglomeration, and Trapping: Key Factors for the Morphology of the Si-SiO2 Interface”, L. Tsetseris and S. T. PantelidesThe measured activation energies for oxide growth rates at the initial and late stages of oxidation of Si are 2 and 1.2 eV, respectively. These values imply that oxidation can proceed at temperatures much smaller than the 800 °C normally used to obtain devices with exceptionally smooth... (Read more)
- 108. Appl. Phys. Lett. 89, 071916 (2006) , “Migration and redistribution of oxygen vacancy in barium titanate ceramics”, L. Chen, X. M. Xiong, H. Meng, P. Lv, and J. X. ZhangDegradation of barium titanate based multilayer capacitor mainly results from migration and redistribution of oxygen vacancy. For barium titanate ceramics, the authors observe an internal friction relaxation peak around 70 °C due to oxygen vacancy, and its relaxation strength differs greatly... (Read more)
- 109. Appl. Phys. Lett. 89, 082510 (2006) , “Observation and manipulation of paramagnetic oxygen vacancies in Co-doped TiO2 nanocrystals”, Dengyu Pan, Guoliang Xu, Liya Lv, Yuan Yong, Xiuwei Wang, Jianguo Wan, Guanghou Wang, and Yunxia SuiElectron paramagnetic resonance measurements were presented to investigate paramagnetic oxygen vacancies (F+ centers) in Co-doped TiO2 nanocrystals. Surface and interior F+ centers were manipulated by washing or/and annealing. Anisotropic surface... (Read more)
- 110. Phys. Rev. B 74, 035112 (2006) , “Charge localization or itineracy at LaAlO3/SrTiO3 interfaces: Hole polarons, oxygen vacancies, and mobile electrons”, R. Pentcheva and W. E. PickettWhile correlated electron behavior is to be expected at oxide interfaces (IFs) involving Mott insulators, we show how strong correlations in the oxygen 2p states may be necessary to account for observed insulating behavior at charged (001)-IFs between the band insulators LaAlO3 and... (Read more)
- 111. Phys. Rev. B 74, 024106 (2006) , “Oxygen-vacancy-related dielectric anomaly in CaCu3Ti4O12: Post-sintering annealing studies”, C. C. Wang and L. W. ZhangThe influence of post-sintering annealing on the dielectric properties of CaCu3Ti4O12 was investigated in the temperature range form 200 to 400 K. A dielectric peak featuring thermally activated Debye-like behavior was observed around 340 K (100 Hz). This peak... (Read more)
- 112. Phys. Rev. B 73, 193202 (2006) , “First-principles study of point defects in rutile TiO2–x”, Eunae Cho, Seungwu Han, Hyo-Shin Ahn, Kwang-Ryeol Lee, Seong Keun Kim, and Cheol Seong HwangWe report our first-principles results on point defects in TiO2 in the rutile phase. Both the oxygen vacancy and titanium interstitial are considered. The size effect of the supercell has been examined and the localized state associated with the oxygen vacancy turns out to be sensitive to... (Read more)
- 113. Phys. Rev. B 73, 184105 (2006) , “Iron-oxygen vacancy defect association in polycrystalline iron-modified PbZrO3 antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis”, Hrvoje Metri, Rüdiger-A. Eichel, Klaus-Peter Dinse, Andrew Ozarowski, Johan van Tol, Louis Claude Brunel, Hans Kungl, Michael J. Hoffmann, Kristin A. Schönau, Michael Knapp, and Hartmut FuessBy utilizing multifrequency electron paramagnetic resonance (EPR) spectroscopy, the iron functional center in Fe3+-modified polycrystalline lead zirconate (PbZrO3) was studied. The single phase polycrystalline sample remained orthorhombic and antiferroelectric down to 20 K as... (Read more)
- 114. Phys. Rev. B 73, 235209 (2006) , “Temperature dependence of the vibrational spectrum of a Li-OH complex in ZnO: Infrared absorption experiments and theory”, Kevin R. Martin, Philip Blaney, Gang Shi, Michael Stavola, and W. Beall FowlerConsiderable interest has developed in the potential use of IIVI oxides as electronic and optical materials. In several cases, alkali atoms have been suggested as dopants. We report on the theoretical and experimental investigation of infrared and vibrational properties of a Li-OH complex in... (Read more)
- 115. Phys. Rev. B 73, 235206 (2006) , “LSDA+U study of cupric oxide: Electronic structure and native point defects”, Dangxin Wu and Qiming ZhangA first-principles study on strongly correlated monoclinic cupric oxide CuO has been performed by using the LSDA+U method. The optimized structural parameters of the crystal CuO are in good agreement with the experimental data. The electronic structures and magnetic properties calculated from the... (Read more)
- 116. Phys. Rev. B 73, 245210 (2006) , “First-principles investigation of a bistable boron-oxygen interstitial pair in Si”, A. Carvalho, R. Jones, M. Sanati, S. K. Estreicher, J. Coutinho, and P. R. BriddonLocal density functional calculations are used to predict and compare the properties of the two distinct interstitial boron-interstitial oxygen (BiOi) complexes recently reported in the literature. The electronic and free energies, as well as the small... (Read more)
- 117. Appl. Phys. Lett. 87, 262108 (2005) , “Fast-forming boron-oxygen-related recombination center in crystalline silicon”, Karsten Bothe and Jan SchmidtThe mechanism of a fast carrier lifetime degradation effect proceeding within seconds in boron-doped Czochralski silicon is investigated. The decrease in the carrier lifetime is attributed to the formation of a deep boron-oxygen-related recombination center with a strongly asymmetric... (Read more)
- 118. Appl. Phys. Lett. 87, 211912 (2005) , “Deep-level emissions influenced by O and Zn implantations in ZnO”, Q. X. Zhao, P. Klason, M. Willander, H. M. Zhong, W. Lu, J. H. YangA set of bulk ZnO samples implanted with O and Zn at various densities were investigated by photoluminescence. The implantation concentration of O and Zn is varied between 1×1017/cm3 and 5×1019/cm3. The samples were thermally treated in an... (Read more)
- 119. Appl. Phys. Lett. 87, 221903 (2005) , “Oxygen segregation to dislocations in GaN”, M. E. Hawkridge and D. ChernsThe structure and composition of threading dislocations in GaN grown by hydride vapor phase epitaxy have been examined by electron microscopy. Transmission electron microscopy showed that the core structure of screw dislocations varied widely, alternating irregularly between open core... (Read more)
- 120. Appl. Phys. Lett. 88, 242508 (2006) , “Thermal limits on field alignment of nanoparticle FePt media”, J. A. Bain, W. F. Egelhoff, Jr.We derive a simple expression for the average angular orientation distribution of ferromagnetic FePt particles in an applied field in thermal equilibrium. This system is closely related to the Langevin expression for paramagnetic susceptibility, which computes the average orientation of particles in... (Read more)
- 121. Phys. Rev. B 73, 115207 (2006) , “First-principles study of migration mechanisms and diffusion of oxygen in zinc oxide”, Paul Erhart and Karsten AlbeWe have performed density-functional theory calculations in conjunction with the climbing image nudged elastic band method in order to study the self-diffusion of oxygen in zinc oxide. To this end, we have derived the complete set of migration paths for vacancies as well as interstitials in wurtzite... (Read more)
- 122. J. Catalysis 9, 331-335 (1967) , “ESR evidence of CO oxidation by more than one oxygen species sorbed on ZnO”, Kenneth M. SancierAn approach is described for investigating the nature of sorbed oxygen species on a semiconductor catalyst surface and for determining their relative reactivities in a heterogeneous oxidation reaction. Experimental information as to the types of oxygen species on ZnO with presorbed oxygen, ZnO... (Read more)
- 123. J. Catalysis 12, 278-280 (1968) , “An ESR investigation of nitrobenzene adsorbed on zinc oxide”, V. V. Subba Rao, R. D. Iyengar and A. C. ZettlemoyerAn ESR study of the interaction of nitrobenzene with nonstoichiometric ZnO surfaces was made. A 3-line spectrum with g values 1.9840, 2.0055 and 2.0225 was observed and was identified as due to nitrobenzene anion radicals strongly held to the surface. An unidentified signal at g = 2.0050 was left... (Read more)
- 124. Surf. Sci. 13, 251-262 (1969) , “ESR studies of the interaction of O2, NO2, N2O, NO and Cl2 with zinc oxide”, R. D. Iyengar, V. V. Subba Rao , A. C. ZettlemoyerAn electron spin resonance study of the surface interaction of zinc oxide with oxygen, oxides of nitrogen (NO2, NO and N2O) and chlorine was made. Characteristic spectra obtained following adsorption of NO2 and NO were analyzed and attributed to rigidly adsorbed neutral molecules. Confirmation of... (Read more)
- 125. Solid State Commun. 11, 1547-1550 (1972) , “Oxygen displacement energy in ZnO”, J. M. MeeseD. R. LockerA displacement threshold at 310 keV has been observed by electrical measurements in single crystal ZnO and has been identified as the minimum electron energy required for oxygen displacements by observing the production of F- centers above this threshold with EPR. (Read more)
- 126. J. Vac. Sci. Technol. 9, 87-90 (1972) , “Properties of ZnO Films Prepared by dc and rf Diode Sputtering”, J. VuillodA brief description of the dc and rf diode sputtering unit is first presented. The study of properties of the films is reviewed taking into consideration two main parameters, oxygen partial pressure and substrate temperature. Reflection electron diffraction and x-ray diffraction studies show that... (Read more)
- 127. Advances in Molecular Relaxation Processes 5, 211-218 (1973) , “Chemisorption of oxygen on transition metal oxides studied by EPR”, Krystyna DyrekThe method was applied to the investigation of adsorption of oxygen on the transition metal oxides MnO, FeO, CoO, Cu2O, and their solid solutions in the diamagnetic matrices ZnO and MgO. It has been found that in the case of pure oxides and their solid solutions at high magnetic metal ion... (Read more)
- 128. J. Chem. Phys. 60, 2148-2151 (1974) , “Formation of O– in ZnO from the dissociation of adsorbed N2O”, Ning-Bew Wong, Younes Ben Taarit, and Jack H. LunsfordPhotoinduced O ions or V-type centers have been detected in ZnO following ultraviolet irradiation at 196°C. The EPR spectrum of the ions is characterized by g=2.021 and g = 2.0026. The concentration of O was greatly... (Read more)
- 129. J. Vac. Sci. Technol. 15, 1298-1310 (1978) , “Reactions of oxygen with ZnO–100-surfaces”, W. GöpelInvestigations are reported on the reaction of oxygen with electrostatic neutral ZnO100-surfaces studied by means of AES, LEED, EPR, thermal desorption spectroscopy, and isotopic exchange as well as changes in the surface conductivity and work function. Geometric and electronic structures of... (Read more)
- 130. Appl. Phys. Lett. 67, 1280 (1995) , “Impact of Pb doping on the optical and electronic properties of ZnO powders”, K. Vanheusden, W. L. Warren, J. A. Voigt, C. H. Seager, and D. R. TallantElectron paramagnetic resonance (EPR), optical absorption, and photoluminescence (PL) spectroscopy have been combined to characterize Pb-doped ZnO ceramic powders. We observe a decrease in the 2.26 eV emission peak and a concomitant smearing of the band edges, narrowing the effective gap of the... (Read more)
- 131. Radiat. Meas. 26, 131-137 (1996) , “Effect of oxide additives on radiolytic decomposition of zirconium and thorium nitrates”, N. G. Joshi, A. N. Garg, V. Natarajan and M. D. SastryGamma ray-induced decomposition of the binary mixtures of zirconium and thorium nitrates with 2.5, 5 and 10 mol% of V2O5, PbO, ThO2, ZrO2, and MnO2 has been studied at different doses up to 260 kGy. Radiation chemical yield G(NO2−)-values are enhanced by V2O5, PbO, and ThO2 but are decreased... (Read more)
- 132. J. Appl. Phys. 79, 7983-7990 (1996) , “Mechanisms behind green photoluminescence in ZnO phosphor powders”, K. Vanheusden, W. L. Warren, C. H. Seager, D. R. Tallant, J. A. Voigt, B. E. GnadeWe explore the interrelationships between the green 510 nm emission, the free-carrier concentration, and the paramagnetic oxygen-vacancy density in commercial ZnO phosphors by combining photoluminescence, optical-absorption, and electron-paramagnetic-resonance spectroscopies. We find that the green... (Read more)
- 133. Appl. Phys. Lett. 68, 403 (1996) , “Correlation between photoluminescence and oxygen vacancies in ZnO phosphors”, K. Vanheusden, C. H. Seager, W. L. Warren, D. R. Tallant, and J. A. VoigtBy combining electron paramagnetic resonance (EPR), optical absorption, and photoluminescence (PL) spectroscopy, a strong correlation is observed between the green 510 nm emission, the free-carrier concentration, and the density of singly ionized oxygen vacancies in commercial ZnO phosphor powders.... (Read more)
- 134. Mater. Lett. 33, 247-250 (1998) , “Electron spin resonance properties of ZnO microcrystallites”, Baolong Yu, Congshan Zhu, Fuxi Gan , Yabin HuangThe preparation of ZnO microcrystallites using a microemulsion method and their electron spin resonance (ESR) properties are reported for the first time. It was found that the ZnO microcrystallite exhibits an ESR signal at room temperature, in contrast to that of bulk ZnO. The results confirmed that... (Read more)
- 135. Mater. Sci. Eng. A 332, 356-361 (2002) , “The preparation and characterization of ZnO ultrafine particles”, Liqiang Jing, Zili Xu, Jing Shang, Xiaojun Sun, Weimin Cai and Haichen GuoIn this paper, ZnO ultrafine particles (UFPs) were prepared by the thermal decomposition method of the precursor, zinc carbonate hydroxide. The structure and properties of the as-prepared ZnO UFPs were studied using TEM, XRD, BET, SPS, ESR, Raman, XPS and UV–Vis absorption spectroscopy. It... (Read more)
- 136. Appl. Surf. Sci. 180, 308-314 (2001) , “The surface properties and photocatalytic activities of ZnO ultrafine particles”, Liqiang Jing, Zili Xu, Xiaojun Sun, Jing Shang and Weimin CaiWe prepared ZnO ultrafine particles (UFPs) by thermal decomposition of the precursor zinc carbonate hydroxide. The surface properties of the as-prepared particles were studied using TEM, XRD, BET, SPS, EPR, IR, and XPS. The surface contains active species such as oxygen deficiencies and hydroxyl... (Read more)
- 137. Appl. Catalysis A 213, 173-177 (2001) , “In situ electron paramagnetic resonance (EPR) study of surface oxygen species on Au/ZnO catalyst for low-temperature carbon monoxide oxidation”, Zhengping Hao, Liangbo Fen, G. Q. Lu, Jianjun Liu, Lidun An and Hongli WangSome paramagnetic superoxide ions detectable by electron paramagnetic resonance (EPR) can be generated on Au/ZnO catalyst by oxygen adsorption at room temperature as well as at 553 K. In both the cases, the O2− ions are present on the catalyst surface. The disappearance of the O2−... (Read more)
- 138. J. Phys. Chem. Solids 64, 1027-1035 (2003) , “Optical absorption and fluorescence properties of Er3+ ion in MO–WO3–P2O5 glasses”, P. Subbalakshmi , N. VeeraiahTungsten phosphate glasses mixed with the three different modifier oxides, viz. PbO, ZnO and CaO doped with Er2O3 were prepared. The glasses were characterised by X-ray diffraction spectra, electron microscopy and differential thermal analysis. Optical absorption and photoluminescence spectra of... (Read more)
- 139. Spectrochim. Acta A. 61, 2595-2602 (2005) , “VO2+ ions in zinc lead borate glasses studied by EPR and optical absorption techniques”, P. Giri Prakash , J. Lakshmana RaoElectron paramagnetic resonance (EPR) and optical absorption spectra of vanadyl ions in zinc lead borate (ZnO–PbO–B2O3) glass system have been studied. EPR spectra of all the glass samples exhibit resonance signals characteristic of VO2+ ions. The values of spin-Hamiltonian parameters... (Read more)
- 140. Appl. Phys. Lett. 87, 172108 (2005) , “Production of native donors in ZnO by annealing at high temperature in Zn vapor”, L. E. Halliburton, N. C. Giles, N. Y. Garces, Ming Luo, Chunchuan Xu, Lihai Bai, L. A. BoatnerZinc oxide crystals grown by the seeded chemical vapor transport method have been annealed in zinc vapor at 1100 °C for 30 min. These thermochemical reduction treatments produce a deep red coloration in the crystals and increase their n-type electrical conductivity. Electron paramagnetic... (Read more)
- 141. Phys. Rev. B 65, 85312 (2002) , “Magnetic resonance studies of Mg-doped GaN epitaxial layers grown by organometallic chemical vapor deposition”, E. R. Glaser, W. E. Carlos, G. C. B. Braga, J. A. Freitas Jr, W. J. Moore, B. V. Shanabrook, R.L. Henry, A. E. Wickenden, D. D. Koleske, H.Obloh, P. Kozodoy, S. P. DenBaars, U. K. MishraElectron paramagnetic resonance (EPR) and optically detected magnetic resonance (ODMR) experiments have been performed on a set of GaN epitaxial layers doped with Mg from 2.5?1018 to 5.0?1019 cm-3. The samples were also characterized by secondary-ion-mass... (Read more)
- 142. J. Appl. Phys. 90, 6026-6031 (2001) , “Oxygen-Related Defects in Low-Dose Separation-by-Implanted Oxygen Wafers Probed by Monoenergetic Positron Beams”, A. Uedono, Z. Q. Chen, A. Ogura, H. Ono, R. Suzuki, T. Ohdaira, T. Mikado.The depth distributions of oxygen-related defects in separation-by-implanted oxygen wafers were determined from measurements of Doppler broadening spectra of the annihilation radiation. Vacanyoxygen complexes were introduced by implanting 180-keV oxygen at (26)×1017 ... (Read more)
- 143. J. Appl. Phys. 59, 3255-3266 (1986) , “Thermodynamic and Kinetic Considerations on the Equilibrium Shape for Thermally Induced Microdefects in Czochralski Silicon”, W. A. Tiller, S. Hahn, F. A. Ponce.Using thermodynamic and kinetic considerations, we explain the quasiequilibrium, morphological, and structural characteristics of thermally induced oxide precipitates in Czochralski silicon. A model based upon the formation of Frenkel defects at the silicon/silica interface is used to explain the... (Read more)
- 144. J. Appl. Phys. 43, 3499-3506 (1972) , “Electron Paramagnetic Resonance of the lattice Damage in Oxygen-Implanted Silicon”, K.L. Brower and Wendland BeezholdThe nature of the lattice damage produced at room temperature in ion-implanted intrinsic and n-type silicon has been studied as a function of 160-keV O+ ion fluence using electron paramagnetic resonance (EPR). The known EPR spectra observed were the negative divacancy (Si-G7), the... (Read more)Si| EPR ion-implantation neutron-irradiation| 31P D G7 Oxygen P3 Phosphorus S1 S2 SL2 Silicon amorphous vacancy .inp files: Si/SL2 | last update: Takahide Umeda
- 145. J. Appl. Phys. 89, 5997-6001 (2001) , “Oxygen Recoil Implant from SiO2 Layers into Single-Crystalline Silicon”, G. Wang, Y. Chen, D. Li, S. Oak, G. Srivastav, S. Banerjee, A. Tasch, P. Merrill, R. Bleiler.It is important to understand the distribution of recoil-implanted atoms and the impact on device performance when ion implantation is performed at a high dose through surface materials into single crystalline silicon. For example, in ultralarge scale integration impurity ions are often implanted... (Read more)
- 146. Phys. Rev. B 38, 3395-3399 (1988) , “Electrical and Optical Properties of Defects in Silicon Introduced by High-Temperature Electron Irradiation”, Jian-Guo Xu, Fang Lu, and Heng-Hui Sun2-MeV electron irradiation of Si at elevated temperature creates a dominant deep level at the energy Ec-0.36 eV in addition to the oxygen vacancies. This level, which is less significant in room-temperature-irradiated Si, is found to be an efficient recombination center in the present... (Read more)
- 147. J. Appl. Phys. 54, 179-183 (1983) , “The Mechanism of the Enhancement of Divacancy Production by Oxygen During Electron Irradiation of Silicon. II. Computer Modeling”, G. S. Oehrlein, I. Krafcsik, J. L. Lindström, A. E. Jaworowski, and J. W. CorbettNumerical tests of possible models for the oxygen dependence of the divacancy introduction rate in silicon electron irradiated at room temperature were performed on a computer. Only the model in which oxygen traps Si self-interstitials can reproduce all the experimental data. Our modeling results... (Read more)
- 148. Phys. Rev. B 61, 4659-4666 (2000) , “Identification of the Oxygen-Vacancy Defect Containing a Single Hydrogen Atom in Crystalline Silicon”, P. Johannesen, B. Bech Nielsen, J. R. Byberg.Float-zone and Czochralski-grown silicon crystals have been implanted with protons or deuterons at ?50 K. Electron paramagnetic resonance measurements reveal a new signal in the spectrum of the Czochralski-grown (oxygen-rich) material. This signal is strongly temperature dependent, displaying a... (Read more)
- 149. Phys. Rev. B 71, 245203 (2005) , “Electrical Activity of Er and Er-O Centers in Silicon”, D. Prezzi, T. A. G. Eberlein, R. Jones, J. S. Filhol, J. Coutindo, M. J. Shaw, P. R. Briddon.Spin-polarized density functional calculations are carried out on Er and Er-oxygen defects in crystalline Si. We find that the interstitial site is favored but the diffusion barrier of Eri is only 1.9 eV, and inevitably Eri forms complexes with impurities and... (Read more)
- 150. Appl. Phys. Lett. 78, 1571 (2001) , “Hydrogen Passivation and Activation of Oxygen Complexes in Silicon”, S. N. Rashkeev, M. Di Ventra, and S. T. PantelidesWe report first-principles calculations in terms of which we describe the role of hydrogen in passivating or activating oxygen complexes in Si. In particular we find that attaching H to a pre-existing oxygen cluster can change the electric activity of the cluster. Furthermore, the addition of a... (Read more)
- 151. Phys. Rev. Lett. 87, 235501 (2001) , “Thermal Double Donors and Quantum Dots”, J. Coutinho, R. Jones, L. I. Murin, V. P. Markevich, J. L. Lindstr?m, S. ?berg, P. R. Briddon.Combined local mode spectroscopy and ab initio modeling are used to demonstrate for the first time that oxygen atoms in thermal double donors (TDD) in Si are in close proximity. The observed vibrational modes in 16O, 18O, and mixed isotopic samples are consistent with a model... (Read more)
- 152. J. Appl. Phys. 88, 1784-1787 (2000) , “Electron Spin Resonance Centers Associated with Oxygen Precipitates in Czochralski Silicon Crystals”, M. Koizuka, H. Yamada-Kaneta.We have previously concluded that the oxygen-precipitate-associated defects that we identified by the deep levels at Ev + 0.30 eV and Ec0.25 eV were the Pb centers generated in the interface between the oxygen... (Read more)
- 153. Phys. Rev. 135, A1381-A1385 (1964) , “New Oxygen Infrared Bands in Annealed Irradiated Silicon”, J. W. Corbett, G. D. Watkins, and R. S. McDonaldInfrared and electron-spin-resonance measurements on the recovery of silicon irradiated with 1.5-MeV electrons are presented. In the infrared measurements the disappearance of the previously reported 829-cm-1 (12?) oxygen vibration band is followed, and the appearance and subsequent... (Read more)
- 154. J. Appl. Phys. 30, 1195 (1959) , “Paramagnetic Resonance in Electron Irradiated Silicon”, G. Bemski.Electron spin resonance has been observed in n-type silicon irradiated with 0.5-Mev electrons. The particular resonance lines discussed here appear only in pulled crystals which contain about 1018 oxygen atoms per cm3. The lines do not appear in floating zone crystals... (Read more)Si| EPR electron-irradiation| A Oxygen Silicon pair(=2) vacancy .inp files: Si/V-O | last update: Takahide Umeda
- 155. Phys. Rev. 121, 1001 (1961) , “Defects in Irradiated Silicon. I. Electron Spin Resonance of the Si-A Center”, G. D. Watkins, J. W. Corbett.The Si-A center is a major, radiation-damage defect produced in "pulled" silicon by a room temperature irradiation. As a result of studies described in this paper (I), and the following one (II), it is concluded that this center is a lattice vacancy with an oxygen atom impurity bridging two of the... (Read more)
- 156. J. Phys. Chem. Solids 31, 739 (1970) , “Electron Irradiation Damage in Silicon Containing Carbon and Oxygen”, A. R. Bean, R. C. Newman and R. S. Smith.Infra-red absorption bands have been measured in the range 1–25 μm for a large number of silicon samples containing oxygen and carbon impurities after various doses of irradiation at room temperature by 2 MeV electrons. Measurements have been made of the removal rates of oxygen and... (Read more)
- 157. Phys. Rev. B 4, 1968 (1971) , “Electron Paramagnetic Resonance of the Neutral (S=1) One-Vacancy-Oxygen Center in Irradiated Silicon”, K. L. Brower.A new EPR spectrum, labeled Si-S1, has been observed in electron- or neutron-irradiated, n- or p-type, crucible-grown silicon under illumination with approximately band-gap light. The Si-S1 spectrum consists primarily of a fine-structure spectrum and a 29Si hyperfine spectrum. By... (Read more)
- 158. Phys. Rev. B 5, 4274 (1972) , “17O Hyperfine Structure of the Neutral (S=1) Vacancy-Oxygen Center in Ion-Implanted Silicon”, K. L. Brower.The intensity of the 17O hyperfine spectrum associated with the 28Si-17O-28Si isotopic configuration of the vacancy-oxygen (Si-S1) center was enhanced by ion implantation of 17O into silicon. The Si-S1 17O hyperfine spectrum was... (Read more)Si| EPR ion-implantation| 17O Oxygen SL1 pair(=2) vacancy .inp files: Si/V-O* | last update: Takahide Umeda
- 159. Phys. Rev. Lett. 86, 1054 (2001) , “Electron Spin Resonance Observation of the Si(111)- (7?7) Surface and Its Oxidation Process”, Takahide Umeda, Masayasu Nishizawa, Tetsuji Yasuda, Junichi Isoya, Satoshi Yamasaki, and Kazunobu TanakaElectron spin resonance (ESR) observation of dangling-bond states on the Si(111)- (7?7) surface is demonstrated for the first time. The ESR spectra clearly show that a reaction of molecular oxygen with the Si(111)- (7?7) surface is associated with the appearance of a new dangling-bond center at... (Read more)Si SiO2| EPR STM/AFM/SPM| Oxygen Pb Ps0 Ps1 Silicon dangling-bond interface surface .inp files: Si/surface(111) | last update: Masatoshi Sasaki
- 160. Phys. Rev. B 13, 2653 (1976) , “EPR Studies of Defects in Electron-Irradiated Silicon: A Triplet State of Vacancy-Oxygen Complexes”, Young-Hoon Lee and James W. CorbettThree new EPR spectra (Si-A 14, -A 15,?and?-A 16) and two previously known spectra (Si-P2?and?-P4) are observed for the first time in electron-irradiated silicon. The microscopic defect models are established as multivacancy-oxygen complexes with the oxygen(s) in Si-O-Si structure inside the ... (Read more)
- 161. Appl. Phys. Lett. 29, 265 (1976) , “EPR Evidence for a Positively Charged Vacancy-Oxygen Defect in Silicon”, Paul R. BrosiousA new EPR spectrum, labeled Si-I3, has been observed in electron-irradiated n-type Czochralski silicon illuminated with approximately band-gap light. The g-tensor symmetry, the g shifts from the free-electron value, and the temperature dependence of the spectrum amplitude lead to the... (Read more)
- 162. Appl. Phys. Lett. 76, 1585 (2000) , “Reduction of interface-state density in 4H–SiC n-type metal–oxide–semiconductor structures using high-temperature hydrogen annealing”, K. Fukuda, S. Suzuki, T. Tanaka, K. AraiThe effects of hydrogen annealing on capacitancevoltage (CV) characteristics and interface-state density (Dit) of 4HSiC metaloxidesemiconductor (MOS) structures have been investigated. The Dit was reduced to as low as... (Read more)
- 163. Phys. Rev. B 73, 014111 (2006) , “Structure of SiO2/4H-SiC interface probed by positron annihilation spectroscopy”, M. Maekawa, A. Kawasuso, M. Yoshikawa, A. Miyashita, R. Suzuki, T. OhdairaThe structure of the SiO2/4H-SiC interface produced by dry oxidation has been studied using positron annihilation spectroscopy using energy-variable slow positron beams. Based on the Doppler broadening shape and wing parameter (S-W) correlation, the interface layer was... (Read more)
- 164. Jpn. J. Appl. Phys. 43, 1076 (2004) , “Structure of an Oxygen-Related Defect Complex in SiC Studied with Electron Energy-Loss Spectroscopy”, Shunsuke Muto, Hiroshi Sugiyama, Tomohiko Kimura, Tetsuo TanabeThe atomic configuration of an oxygen-related defect complex in a SiC crystal was determined with the analyses of the extended energy-loss fine structure (EXELFS) and energy-loss near-edge structure (ELNES) in the electron energy-loss spectroscopy (EELS) associated with a transmission electron... (Read more)
- 165. Phys. Rev. Lett. 89, 256102 (2002) , “Limiting Step Involved in the Thermal Growth of Silicon Oxide Films on Silicon Carbide”, I. C. Vickridge, I. Trimaille, J.-J. Ganem, S. Rigo, C. Radtke, I. J. R. Baumvol, F. C. StedileThermal growth of silicon oxide films on silicon carbide in O2 was investigated using oxygen isotopic substitution and narrow resonance nuclear reaction profiling. This investigation was carried out in parallel with the thermal growth of silicon oxide films on Si. Results demonstrate that... (Read more)
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