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- 501. J. Appl. Phys. 99, 053516 (2006) , “Correlation between Zn vacancies and photoluminescence emission in ZnO films”, A. Zubiaga, J. A. García, F. Plazaola, F. Tuomisto, K. Saarinen, J. Zuñiga Pérez, and V. Muñoz-SanjoséPhotoluminescence and positron annihilation spectroscopy have been used to characterize and identify vacancy-type defects produced in ZnO films grown on sapphire by metal-organic chemical-vapor deposition. The photoluminescence of the samples in the near band edge region has been studied, paying... (Read more)
- 502. J. Appl. Phys. 99, 053502 (2006) , “Spectroscopic analysis of defects in chlorine doped polycrystalline CdTe”, V. Consonni, G. Feuillet, and S. RenetThe effects of Cl doping of thick polycrystalline CdTe layers grown by close space sublimation on their crystalline structure and the compensation and passivation processes have been investigated. From an extensive low temperature photoluminescence study, it is shown that, in polycrystalline... (Read more)
- 503. 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)
- 504. J. Appl. Phys. 99, 043509 (2006) , “Influence of metal trapping on the shape of cavities induced by high energy He+ implantation”, R. El Bouayadi, G. Regula, M. Lancin, B. Pichaud, and M. DesvignesIn He implantation induced cavities highly contaminated with metals (Au, Ni, Pt) we found that, when no three-dimensional structure is observed, the shape of the cavities can be strongly modified depending on the nature of the metal and on its trapped quantity. The equilibrium shape of cavities is... (Read more)
- 505. J. Appl. Phys. 99, 033701 (2006) , “Diffusion length and junction spectroscopy analysis of low-temperature annealing of electron irradiation-induced deep levels in 4H-SiC”, A. Castaldini, A. Cavallini, L. Rigutti, S. Pizzini, A. Le Donne, and S. BinettiThe effects of low-temperature annealing in 8.2 MeV electron-irradiated 4H-SiC Schottky diodes were investigated. Deep-level transient spectroscopy and minority-carrier diffusion length (Ld) measurements were carried out on not-irradiated samples and on irradiated... (Read more)
- 506. J. Appl. Phys. 99, 023702 (2006) , “Deep traps in oxide-nitride-oxide stacks fabricated from hydrogen and deuterium containing precursors”, G. Rosenman, M. Naich, Ya. Roizin, and Rob van SchaijkThe energy spectrum of the traps and thermal stability of stored charge have been studied by the thermostimulated exoelectron emission method in hydrogenated H and deuterated D oxide-nitride-oxide (ONO) multilayer stacks of silicon-oxide-nitride-oxide-silicon (SONOS) nonvolatile memories. It is... (Read more)
- 507. J. Appl. Phys. 99, 023523 (2006) , “Characterization of 6H-SiC surfaces after ion implantation and annealing using positron annihilation spectroscopy and atomic force microscopy”, G. Brauer, W. Anwand, W. Skorupa, S. Brandstetter, and C. TeichertSystematic slow positron implantation spectroscopy (SPIS) and atomic force microscopy studies of various 6H-SiC samples are presented to clarify the role of conductivity type, crystal quality, ion implantation (B+,Al+, and N+), and annealing (1.650 °C) in... (Read more)
- 508. 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)
- 509. J. Appl. Phys. 99, 013515 (2006) , “Defects and electrical behavior in 1 MeV Si+-ion-irradiated 4H–SiC Schottky diodes”, F. Roccaforte, S. Libertino, V. Raineri, A. Ruggiero, V. Massimino, and L. CalcagnoIn this paper, the formation and evolution of defects induced by ion irradiation with 1 MeV Si+ ions in Ni2Si/4HSiC Schottky diodes were studied and correlated with the electrical properties of the contacts. The current-voltage characteristics of the contacts... (Read more)
- 510. J. Appl. Phys. 99, 013508 (2006) , “Residual impurities and native defects in 6H-SiC bulk crystals grown by halide chemical-vapor deposition”, S. W. Huh, H. J. Chung, S. Nigam, A. Y. Polyakov, Q. Li, M. Skowronski, E. R. Glaser, W. E. Carlos, B. V. Shanabrook, M. A. Fanton, and N. B. SmirnovA variety of defect-sensitive techniques have been employed to detect, identify, and quantify the residual impurities and native defects in high-purity (undoped) 6H-SiC crystals grown by halide chemical-vapor deposition technique. The incorporation efficiencies of N and B are determined by... (Read more)
- 511. J. Appl. Phys. 99, 013502 (2006) , “Luminescence of bound excitons in epitaxial ZnO thin films grown by plasma-assisted molecular beam epitaxy”, Y. S. Jung, W. K. Choi, O. V. Kononenko, and G. N. PaninLuminescence properties of ZnO films, which have been epitaxially grown on c-sapphire (0001) substrates by plasma-assisted molecular beam epitaxy, are investigated by means of different excitation sources and their measurement conditions. With the increase of measurement temperature,... (Read more)
- 512. J. Appl. Phys. 99, 011101 (2006) , “Degradation of hexagonal silicon-carbide-based bipolar devices”, M. Skowronski and S. HaOnly a few years ago, an account of degradation of silicon carbide high-voltage p-i-n diodes was presented at the European Conference on Silicon Carbide and Related Compounds (Kloster Banz, Germany, 2000). This report was followed by the intense effort of multiple groups... (Read more)
- 513. J. Phys. Chem. Solids 67, 789 (2006) , “Spectroscopic and magnetic studies of manganese ions in ZnO–Sb2O3–B2O3 glass system”, M. Srinivasa Reddy, G. Murali Krishna , N. VeeraiahZnO–Sb2O3–B2O3 glasses containing different concentrations of MnO ranging from 0 to 1.0 mol% were prepared. A number of studies, viz. optical absorption, infrared and ESR spectra and magnetic susceptibility, were carried out as a function of manganese ion concentration. The analysis of... (Read more)
- 514. J. Phys.: Condens. Matter 18, L551 (2006) , IOP Publishing , “Observation of a new high-pressure semimetal phase of GaAs from pressure dependence of the thermopower”, S.V. Ovsyannikov, V.V. ShchennikovWe report the use of the thermopower technique (Seebeck effect) as an effective tool for discovery of 'hidden' (for standard techniques, like x-ray, synchrotron, Raman, etc) phases of substances. Applying the thermopower technique to a set of GaAs single crystals pressurized in a sintered diamond... (Read more)
- 515. Jpn. J. Appl. Phys. 45, L991 (2006) , “Lowering the Switching Current of Resistance Random Access Memory Using a Hetero Junction Structure Consisting of Transition Metal Oxides”, Kentaro Kinoshita, Tetsuro Tamura, Masaki Aoki, Yoshihiro Sugiyama and Hitoshi TanakaBoth lowering the “reset” current of resistance random access memory (ReRAM) and raising the resistance in the low resistance state are crucial for practical use of ReRAM. These requirements have been satisfied by using a hetero junction structure consisting of transition metal oxides, NiOy/TiOx/Pt, combining direct contact with the NiOy using a W-probe. It is considered that this configuration brought about extreme downsizing of the effective area of both the top and bottom electrodes for NiOy and thus decreased the number of filaments formed in “forming” process. Reducing the number of filaments is essential to these issues. (Read more)
- 516. Mater. Sci. Eng. B 126, 222-225 (2006) , “Magnetic properties of a new spintronic material—GaN:Fe”, H. Przybylińska, A. Wolos, M. Kiecana, M. Sawicki, T. Dietl, H. Malissa, C. Simbrunner, M. Wegscheider, H. Sitter, K. Rumpf, P. Granitzer, H. Krenn and W. JantschWe report on metal-organic chemical vapour deposition growth of GaN:Fe and its characterization by means of high-resolution X-ray diffraction, secondary ion mass spectroscopy, electron spin resonance, and magnetization measurements. Electron spin resonance studies demonstrate the existence of Fe in... (Read more)
- 517. Microelectron. Reliability 46, 1 (2006) , “NBTI degradation: From physical mechanisms to modelling”,An overview of the evolution of transistor parameters under negative bias temperature instability stress conditions commonly observed in p-MOSFETs in recent technologies is presented. The physical mechanisms of the degradation as well as the different defects involved have been discussed according to a systematic set of experiments with different stress conditions. According to our findings, a physical model is proposed which could be used to more accurately predict the transistor degradation. Finally, based on our new present understanding, a new characterization methodology is proposed, which would open the way to a more accurate determination of parameter shifts and thus allowing implementing the degradation into design rules. (Read more)
- 518. Nature 442, 436 (2006) , “Atom-by-atom substitution of Mn in GaAs and visualization of their hole-mediated interactions”, D. Kitchen, A. Richardella, J. -M. Tang, M. E. Flatt, A. YazdaniThe discovery of ferromagnetism in Mn-doped GaAs1 has ignited interest in the development of semiconductor technologies based on electron spin and has led to several proof-of-concept spintronic devices2, 3, 4. A major hurdle for realistic applications of Ga1-XMnXAs, or other dilute magnetic semiconductors, remains that their ferromagnetic transition temperature is below room temperature. Enhancing ferromagnetism in semiconductors requires us to understand the mechanisms for interaction between magnetic dopants, such as Mn, and identify the circumstances in which ferromagnetic interactions are maximized5. Here we describe an atom-by-atom substitution technique using a scanning tunnelling microscope (STM) and apply it to perform a controlled study at the atomic scale of the interactions between isolated Mn acceptors, which are mediated by holes in GaAs. High-resolution STM measurements are used to visualize the GaAs electronic states that participate in the Mn–Mn interaction and to quantify the interaction strengths as a function of relative position and orientation. Our experimental findings, which can be explained using tight-binding model calculations, reveal a strong dependence of ferromagnetic interaction on crystallographic orientation. This anisotropic interaction can potentially be exploited by growing oriented Ga1-XMnXAs structures to enhance the ferromagnetic transition temperature beyond that achieved in randomly doped samples. (Read more)
- 519. Phys. Rev. B 74, 245420 (2006) , “Energetics, structure, and long-range interaction of vacancy-type defects in carbon nanotubes: Atomistic simulations”, J. Kotakoski, A. V. Krasheninnikov,, and K. NordlundThe presence of vacancy clusters in carbon nanotubes has been assumed to explain the formation of carbon peapods and the difference between the experimentally measured and theoretical fracture strength of nanotubes. We use atomistic simulations at various levels of theory to study the... (Read more)
- 520. Phys. Rev. B 74, 245411 (2006) , “Vacancy defects and the formation of local haeckelite structures in graphene from tight-binding molecular dynamics”, Gun-Do Lee, C. Z. Wang, Euijoon Yoon, Nong-Moon Hwang, and K. M. HoThe dynamics of multivacancy defects in a graphene layer is investigated by tight-binding molecular dynamics simulations and by first principles calculation. The simulations show that four single vacancies in the graphene layer first coalesce into two double vacancies, each consisting of a... (Read more)
- 521. Phys. Rev. B 74, 245219 (2006) , “Dynamics of positively charged muonium centers in indium nitride”, Y. G. Celebi, R. L. Lichti, B. E. Coss, and S. F. J. CoxMuon spin depolarization measurements performed on powdered InN with zero applied magnetic field reveal several positively charged diamagnetic muonium centers. At low temperatures, the Mu+ ground state is weakly relaxing with the characteristics of local tunneling motion, which changes to... (Read more)
- 522. Phys. Rev. B 74, 245217 (2006) , “Donor levels for selected n-type dopants in diamond: A computational study of the effect of supercell size”, J. P. Goss, P. R. Briddon, and R. J. EyreComputational techniques are key predictive tools in the drive to engineer semiconductive materials. Diamond, intrinsically a wide band-gap insulator, can be made to semiconduct n-type by doping with phosphorus. However, the relatively deep level at Ec−0.6 eV... (Read more)
- 523. Phys. Rev. B 74, 245216 (2006) , “Influence of excited states of a deep substitutional dopant on majority-carrier concentration in semiconductors”, Hideharu MatsuuraThe density (NA) and energy level (EA) of an acceptor in a p-type wide-band-gap semiconductor (e.g., SiC, GaN, and diamond) are determined by a least-squares fit of the charge neutrality equation to the temperature dependence of the hole... (Read more)
- 524. Phys. Rev. B 74, 245212 (2006) , “Deactivation of nitrogen donors in silicon carbide”, F. Schmid, S. A. Reshanov, H. B. Weber, G. Pensl, M. Bockstedte, A. Mattausch, O. Pankratov, T. Ohshima, and H. ItohHexagonal SiC is either co-implanted with silicon (Si+), carbon (C+), or neon (Ne+) ions along with nitrogen (N+) ions or irradiated with electrons (e−) of 200 keV energy. During the subsequent annealing step at temperatures above 1450 ... (Read more)
- 525. Phys. Rev. B 74, 245205 (2006) , “Mn incorporation in as-grown and annealed (Ga,Mn)As layers studied by x-ray diffraction and standing-wave fluorescence”, V. Holý, Z. Matj, O. Pacherová, V. Novák, M. Cukr, K. Olejník, and T. JungwirthA combination of high-resolution x-ray diffraction and a technique of x-ray standing-wave fluorescence at grazing incidence is employed to study the structure of a (Ga,Mn)As-diluted magnetic semiconductor and its changes during post-growth annealing steps. We find that the film is formed by a... (Read more)
- 526. Phys. Rev. B 74, 245203 (2006) , “Diffusion and conversion dynamics for neutral muonium in aluminum nitride”, H. N. Bani-Salameh, R. L. Lichti, Y. G. Celebi, and S. F. J. CoxMuon spin depolarization rates and hyperfine decoupling curves imply the existence of a neutral muonium center to high temperatures in AlN, providing an experimental model for interstitial atomic hydrogen. This center has a hyperfine interaction close to that of the free atom, but with a small... (Read more)
- 527. Phys. Rev. B 74, 245201 (2006) , “Electrical resistivity and metal-nonmetal transition in n-type doped 4H-SiC”, Antonio Ferreira da Silva, Julien Pernot, Sylvie Contreras, Bo E. Sernelius, Clas Persson, and Jean CamasselThe electrical resistivity of 4H-SiC doped with nitrogen is analyzed in the temperature range 10–700 K for nitrogen concentrations between 3.5×1015 and 5×1019 cm−3. For the highest doped samples, a good agreement is found between the... (Read more)
- 528. Phys. Rev. B 74, 241303(R) (2006) , “Enhancement of interactions between magnetic ions in semiconductors due to declustering”, A. Franceschetti, S. V. Barabash, J. Osorio-Guillen, A. Zunger, and M. van SchilfgaardeIt is often assumed that the exchange interaction between two magnetic ions in a semiconductor host depends only on the distance and orientation of the magnetic ions. Using first-principles electronic structure calculations of Mn impurities in GaAs, we show that the exchange interaction between two... (Read more)
- 529. Phys. Rev. B 74, 235434 (2006) , “Transport properties of n-type ultrananocrystalline diamond films”, I. S. Beloborodov, P. Zapol, D. M. Gruen, and L. A. CurtissWe investigate transport properties of ultrananocrystalline diamond films for a broad range of temperatures. Addition of nitrogen during plasma-assisted growth increases the conductivity of ultrananocrystalline diamond films by several orders of magnitude. We show that films produced at low... (Read more)
- 530. Phys. Rev. B 74, 235426 (2006) , “First-principles study of electronic properties of hydrogenated graphite”, A. Allouche and Y. FerroProgressive implantation of hydrogen atoms into graphite is modeled by first-principles density functional theory. The maximum H/C ratio was found at 53%, which is in good agreement with experimental results. The hydrogen trapping energy varies from −0.7 eV at very low concentrations to a... (Read more)
- 531. Phys. Rev. B 74, 235317 (2006) , “Impurity conduction in phosphorus-doped buried-channel silicon-on-insulator field-effect transistors at temperatures between 10 and 295 K”, Yukinori Ono, Jean-Francois Morizur, Katsuhiko Nishiguchi, Kei Takashina, Hiroshi Yamaguchi, Kazuma Hiratsuka, Seiji Horiguchi, Hiroshi Inokawa, and Yasuo TakahashiWe investigate transport in phosphorus-doped buried-channel metal-oxide-semiconductor field-effect transistors at temperatures between 10 and 295 K. We focus on transistors with phosphorus donor concentrations higher than those previously studied, where we expect conduction to rely on donor... (Read more)
- 532. Phys. Rev. B 74, 235301 (2006) , “Precursor mechanism for interaction of bulk interstitial atoms with Si(100)”, Xiao Zhang, Min Yu, Charlotte T. M. Kwok, Ramakrishnan Vaidyanathan, Richard D. Braatz, and Edmund G. SeebauerIn the same way that gases react with surfaces from above, solid-state point defects such as interstitial atoms can react from below. Little attention has been paid to this form of surface chemistry. Recent bulk self-diffusion measurements near the Si(100) surface have quantified Si interstitial... (Read more)
- 533. Phys. Rev. B 74, 235214 (2006) , “Raman scattering study of H2 in Si”, M. Hiller, E. V. Lavrov, and J. WeberIsolated interstitial H2 and H2 bound to interstitial oxygen (O–H2) in single-crystalline Si are studied by Raman scattering. Two Raman signals at 3199(1) and 3193(1) cm−1 (T0 K) are identified as ro-vibrational transitions of... (Read more)
- 534. Phys. Rev. B 74, 235213 (2006) , “Mn 3d electronic configurations in (Ga1−xMnx)As ferromagnetic semiconductors and their influence on magnetic ordering”, F. Kronast, R. Ovsyannikov, A. Vollmer, H. A. Dürr, W. Eberhardt, P. Imperia, D. Schmitz, G. M. Schott, C. Ruester, C. Gould, G. Schmidt, K. Brunner, M. Sawicki, and L. W. MolenkampWe applied x-ray absorption spectroscopy and x-ray magnetic circular dichroism (XMCD) at the Mn 2p-3d resonances to study the Mn 3d electronic configuration and the coupling of Mn 3d magnetic moments in various Ga1−xMnxAs films.... (Read more)
- 535. Phys. Rev. B 74, 235210 (2006) , “Dislocation-induced deep electronic states in InP: Photocapacitance measurements”, Yutaka Oyama, Jun-ichi Nishizawa, Toshihiro Kimura, and Takenori TannoPhotocapacitance and excitation photocapacitance methods were applied to reveal the dislocation-induced deep levels in coalescent epitaxial lateral overgrowth layers of InP. Point-contact Schottky barrier junctions with small junction areas were formed on dislocated and dislocation-free regions by... (Read more)
- 536. Phys. Rev. B 74, 235209 (2006) , “Comparison of two methods for circumventing the Coulomb divergence in supercell calculations for charged point defects”, A. F. Wright and N. A. ModineDensity-functional-theory calculations were performed for the unrelaxed +2 Si vacancy and +2 self-interstitial utilizing periodic boundary conditions and two different methods—the uniform background charge method and the local moment counter charge method—for circumventing the divergence... (Read more)
- 537. Phys. Rev. B 74, 235208 (2006) , “Theoretical study of the magnetism of Mn-doped ZnO with and without defects”, D. Iuan, B. Sanyal, and O. ErikssonWe calculate the exchange interaction parameters of a classical Heisenberg Hamiltonian for Mn-doped ZnO (Mn concentration between 5% and 20%) by an ab initio Korringa-Kohn-Rostoker coherent-potential-approximation method in the framework of density functional theory. A weak antiferromagnetic... (Read more)
- 538. 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)
- 539. Phys. Rev. B 74, 235205 (2006) , “Optically-detected magnetic resonance of spin-paired complexes emitting in the 2.3 eV spectral region in Mg-doped GaN”, G. N. Aliev, S. Zeng, S. J. Bingham, D. Wolverson, J. J. Davies, T. Wang, and P. J. ParbrookOptically-detected magnetic resonance (ODMR) experiments on magnesium-doped GaN produced by metal-organic vapor phase epitaxy show a group of strong signals with large linewidths (in excess of 0.15 Tesla) obtained when monitoring photoluminescence in the region between 5000 Å and 6200 ... (Read more)
- 540. Phys. Rev. B 74, 235204 (2006) , “Bound excitons in Cu2O: Efficient internal free exciton detector”, J. I. Jang, Y. Sun, B. Watkins, and J. B. KettersonWe report the spectroscopic observation of bound excitons in natural Cu2O samples, which are generated by impurity capture of free excitons. Due to the broken symmetry of a bound exciton, its radiative recombination rate increases, causing a greatly enhanced luminescence intensity... (Read more)
- 541. Phys. Rev. B 74, 235201 (2006) , “Annealing of multivacancy defects in 4H-SiC”, W. E. Carlos, N. Y. Garces, E. R. Glaser, and M. A. FantonThe annealing behavior of defects observed in electron paramagnetic resonance (EPR) and photoluminescence (PL) is discussed. We consider the divacancy (the P6/P7 EPR centers) and a previously unreported EPR center that we suggest is a VC-VSi-VC... (Read more)
- 542. Phys. Rev. B 74, 235104 (2006) , “Longitudinal and transverse diffusion of conduction-electron spins on stacks of fluoranthene radical cations”, David Saez de Jauregui, Jürgen Gmeiner, and Elmar DormannThe temperature dependence and anisotropy of the conduction-electron spin diffusion coefficient D(T) of three single crystals of the organic conductor (fluoranthene)2PF6 with defect content varying between 7×10−5 and 1% per formula unit have... (Read more)
- 543. Phys. Rev. B 74, 233203 (2006) , “Combined photoluminescence-imaging and deep-level transient spectroscopy of recombination processes at stacking faults in 4H-SiC”, A. Galeckas, A. Hallén, S. Majdi, J. Linnros, and P. PirouzWe report on electronic properties of single- and double-layer stacking faults in 4H-SiC and provide an insight into apparent distinctions of recombination-enhanced defect reactions at these faults. Photoluminescence imaging spectroscopy and deep-level transient spectroscopy experiments... (Read more)
- 544. 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)
- 545. Phys. Rev. B 74, 214409 (2006) , “Hyperfine interaction of Er3+ ions in Y2SiO5: An electron paramagnetic resonance spectroscopy study”, O. Guillot-Noël, Ph. Goldner, Y. Le Du, E. Baldit, P. Monnier, and K. BencheikhElectron paramagnetic resonance (EPR) spectroscopy of rare earth ions in crystals is a powerful tool to analyze the hyperfine structure of the rare earth ground state. This can be useful for coherent spectroscopy and quantum information applications where the hyperfine structure of the electronic... (Read more)
- 546. Phys. Rev. B 74, 214109 (2006) , “Inversion of defect interactions due to ordering in Sr1−3x/2LaxTiO3 perovskites: An atomistic simulation study”, B. S. Thomas, N. A. Marks, and Peter HarrowellSr1−3x/2LaxTiO3 perovskites exhibit large variations in radiation resistance and A-site vacancy ordering, depending on x and thermal history. In this study we use a combination of ab initio and classical simulation techniques... (Read more)
- 547. Phys. Rev. B 74, 214105 (2006) , “Atomistic simulations of radiation-induced defect formation in spinels: MgAl2O4, MgGa2O4, and MgIn2O4”, D. Bacorisen, Roger Smith, B. P. Uberuaga, K. E. Sickafus, J. A. Ball, and R. W. GrimesMolecular dynamics simulations of collision cascades were performed in three spinel oxides with varying inversion, namely normal magnesium aluminate, MgAl2O4, half-inverse magnesium gallate, MgGa2O4, and inverse magnesium indate,... (Read more)
- 548. Phys. Rev. B 74, 205428 (2006) , “Er site in Er-implanted Si nanoclusters embedded in SiO2”, C. Maurizio, F. Iacona, F. D'Acapito, G. Franzò, and F. PrioloWe have investigated by extended x-ray absorption fine structure spectroscopy the local order around Er atoms introduced by ion implantation in substoichiometric silica films prepared by plasma enhanced chemical vapor deposition, where Si nanoclusters have been formed by different preimplantation... (Read more)
- 549. Phys. Rev. B 74, 205324 (2006) , “Surface smoothness of plasma-deposited amorphous silicon thin films: Surface diffusion of radical precursors and mechanism of Si incorporation”, Mayur S. Valipa, Tamas Bakos, and Dimitrios MaroudasWe present a detailed analysis of the fundamental atomic-scale processes that determine the surface smoothness of hydrogenated amorphous silicon (a-Si:H) thin films. The analysis is based on a synergistic combination of molecular-dynamics (MD) simulations of radical precursor migration on surfaces... (Read more)
- 550. Phys. Rev. B 74, 205208 (2006) , “Formation energies, binding energies, structure, and electronic transitions of Si divacancies studied by density functional calculations”, R. R. Wixom and A. F. WrightAtomic configurations, formation energies, electronic transition energies, and binding energies of the silicon divacancy in the +1, 0, −1, and −2 charge states were obtained from density functional theory calculations. The calculations were performed using the local density approximation... (Read more)
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