Empirical interatomic potential for Si-H interactions
作者： M. V. Ramana Murty , Harry A. Atwater
关键词: Amorphous silicon 、 Interstitial defect 、 Hydride 、 Chemical physics 、 Hydrogen 、 Materials science 、 Silicon 、 Interatomic potential
摘要: An empirical many-body interatomic potential has been developed to describe Si-H interactions. The was fitted various gas-phase silicon hydride species and interstitial sites of atomic hydrogen in bulk silicon, gives a reasonable description hydrogen-terminated surfaces. is computationally efficient may be used, with caution, for molecular-dynamics investigations interactions on surfaces hydrogenated amorphous silicon.
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sci-hub.se 参考文章(29)
T. Ohmi, T. Ichikawa, H. Iwabuchi, T. Shibata, Formation of device‐grade epitaxial silicon films at extremely low temperatures by low‐energy bias sputtering Journal of Applied Physics. ,vol. 66, pp. 4756- 4766 ,(1989) , 10.1063/1.343786
Donald L. Smith, Chau‐Chen Chen, Greg B. Anderson, Stig B. Hagstrom, Enhancement of low‐temperature critical epitaxial thickness of Si(100) with ion beam sputtering Applied Physics Letters. ,vol. 62, pp. 570- 572 ,(1993) , 10.1063/1.108884
D. J. Eaglesham, G. S. Higashi, M. Cerullo, 370 °C clean for Si molecular beam epitaxy using a HF dip Applied Physics Letters. ,vol. 59, pp. 685- 687 ,(1991) , 10.1063/1.105365
M. V. Ramana Murty, Harry A. Atwater, CRYSTAL-STATE-AMORPHOUS-STATE TRANSITION IN LOW-TEMPERATURE SILICON HOMOEPITAXY Physical Review B. ,vol. 49, pp. 8483- 8486 ,(1994) , 10.1103/PHYSREVB.49.8483
J. Tersoff, Empirical interatomic potential for silicon with improved elastic properties. Physical Review B. ,vol. 38, pp. 9902- 9905 ,(1988) , 10.1103/PHYSREVB.38.9902
Frank H. Stillinger, Thomas A. Weber, Computer simulation of local order in condensed phases of silicon Physical Review B. ,vol. 31, pp. 5262- 5271 ,(1985) , 10.1103/PHYSREVB.31.5262
Donald W. Brenner, Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films Physical Review B. ,vol. 42, pp. 9458- 9471 ,(1990) , 10.1103/PHYSREVB.42.9458
John J. Boland, Scanning tunnelling microscopy of the interaction of hydrogen with silicon surfaces Advances in Physics. ,vol. 42, pp. 129- 171 ,(1993) , 10.1080/00018739300101474
C. Astaldi, A. Bianco, S. Modesti, E. Tosatti, Vibrational spectra of atomic H and D on Cu(110): Evidence for H quantum delocalization. Physical Review Letters. ,vol. 68, pp. 90- 93 ,(1992) , 10.1103/PHYSREVLETT.68.90
Stefan Estreicher, Equilibrium sites and electronic structure of interstitial hydrogen in Si Physical Review B. ,vol. 36, pp. 9122- 9128 ,(1987) , 10.1103/PHYSREVB.36.9122