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- 1. 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)
- 2. 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)
- 3. 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)
- 4. 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)
- 5. 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)
- 6. 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)
- 7. 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)
- 8. 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)
- 9. 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)
- 10. 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)
- 11. 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)
- 12. 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)
- 13. 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)
- 14. 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
- 15. 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)
- 16. Phys. Rev. Lett. 83, 372 (1999) , “Hydrogen Electrochemistry and Stress-Induced Leakage Current in Silica”, Peter E. Blöchl 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)
- 17. 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
- 18. 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 Ã…) 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)
- 19. 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)
- 20. 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)
- 21. 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)
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