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- 1. Phys. Rev. B 75, 085439 (2007) , “Real-space investigation of fast diffusion of hydrogen on Si(001) by a combination of nanosecond laser heating and STM”, C. H. Schwalb, M. Lawrenz, M. Dürr,, and U. HöferThe rearrangement of silicon dangling bonds induced by pulsed laser heating of monohydride-covered Si(001) surfaces has been studied by means of scanning tunneling microscopy (STM). The initial configurations, which were created by laser-induced thermal desorption, consist of isolated pairs of... (Read more)
- 2. 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)
- 3. Phys. Rev. B 75, 073409 (2007) , “Why thermal H2 molecules adsorb on SiC(001)-c(4×2) and not on SiC(001)-(3×2) at room temperature”, Xiangyang Peng, Peter Krüger, and Johannes PollmannIn a recent experiment, Derycke et al. have made the exciting observation that H2 molecules readily adsorb dissociatively on the c(4×2) but not on the 3×2 surface of SiC(001) at room temperature. To unravel this spectacular reactivity difference, we have investigated a... (Read more)
- 4. Appl. Phys. Lett. 89, 053511 (2006) , “Density functional theory study of deep traps in silicon nitride memories”, Max Petersen and Yakov RoizinUsing density functional theory, the interaction of hydrogen with a nitrogen vacancy in -Si3N4 is investigated. A single H atom was found to be energetically favorable over non- and doubly protonated vacancies. The traps composed of excess silicon and hydrogen have negative... (Read more)
- 5. 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)
- 6. Appl. Phys. Lett. 88, 153518 (2006) , “Negative bias temperature instability mechanism: The role of molecular hydrogen”, Anand T. Krishnan, Srinivasan Chakravarthi, Paul Nicollian, Vijay Reddy, and Srikanth KrishnanThe role of dimerization of atomic hydrogen to give molecular hydrogen in determining negative bias temperature instability (NBTI) kinetics is explored analytically. The time dependency of NBTI involving molecular hydrogen was found to obey a power law with a slope of 1/6, as opposed to the 1/4... (Read more)
- 7. 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)
- 8. Microelectron. Reliability 45, 71 (2005) , “A comprehensive model of PMOS NBTI degradation ”,Negative bias temperature instability has become an important reliability concern for ultra-scaled Silicon IC technology with significant implications for both analog and digital circuit design. In this paper, we construct a comprehensive model for NBTI phenomena within the framework of the standard reaction–diffusion model. We demonstrate how to solve the reaction–diffusion equations in a way that emphasizes the physical aspects of the degradation process and allows easy generalization of the existing work. We also augment this basic reaction–diffusion model by including the temperature and field-dependence of the NBTI phenomena so that reliability projections can be made under arbitrary circuit operating conditions. (Read more)
- 9. Phys. Rev. B 69, 233202 (2004) , “Diffusion of hydrogen in perfect, p-type doped, and radiation-damaged 4H-SiC”, B. Aradi, P. De?k, A. Gali, N. T. Son, E. Janz?nThe diffusion of interstitial atomic hydrogen in 4H-SiC was investigated theoretically, using the local density approximation of density functional theory. We have found that the diffusion barrier in the perfect crystal is 0.6 eV. Comparing this value with the calculated zero point vibration... (Read more)
- 10. 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)
- 11. Phys. Rev. Lett. 88, 205502 (2002) , “Metastability of Amorphous Silicon from Silicon Network Rebonding”, R. Biswas, B. C. Pan, and Y. Y. YeWe propose a network rebonding model for light-induced metastability in amorphous silicon, involving bonding rearrangements of silicon and hydrogen atoms. Nonradiative recombination breaks weak silicon bonds and generates dangling bond?floating bond pairs, with very low activation energies. The... (Read more)
- 12. 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)
- 13. Phys. Rev. B 63, 245202 (2001) , “Ab initio density-functional supercell calculations of hydrogen defects in cubic SiC”, B. Aradi, A. Gali, P. De?k, J. E. Lowther, N. T. Son, E. Janz?n, W. J. ChoykeBased on ab initio density-functional calculations in supercells of 3C-SiC, the stable configurations of hydrogen and dihydrogen defects have been established. The calculated formation energies are used to give semiquantitative estimates for the concentration of hydrogen in SiC after chemical vapor... (Read more)
- 14. Phys. Rev. B 61, 8393-8403 (2000) , “Dissociation Kinetics of Hydrogen-Passivated Pb Defects at the (111)Si/SiO2 Interface”, A. Stesmans.An electron-spin-resonance study has been carried out, both isothermally and isochronically, of the recovery under vacuum annealing from the hydrogen passivated state (symbolized as HPb) of paramagnetic Pb centers (Si3?Si?) at the (111)Si/SiO2... (Read more)
- 15. Phys. Rev. Lett. 85, 2324-2327 (2000) , “Fast Diffusion of H and Creation of Dangling Bonds in Hydrogenated Amorphous Silicon Studied by in situ ESR”, U. K. Das, T. Yasuda, and S. YamasakiThe interaction of atomic hydrogen with a-Si:H films was studied by means of in situ ESR during H plasma treatment. H diffuses into the a-Si:H film and creates additional Si dangling bonds (∼1013 cm -2). We observed a high diffusion coefficient (>10-10 cm... (Read more)
- 16. 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)
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Updated at 2010-07-20 16:50:39
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