Portions of Chapters 3 - 5 have appeared (or will soon appear)
in the following published articles:
| Chapters 3 and 5: |
"Environment-Dependent Interatomic Potential for Bulk Silicon,"
M. Z. Bazant, E. Kaxiras, J. F. Justo,
to appear Phys. Rev. B (1997). (
http://xxx.lanl.gov/abs/cond-mat/9704137)
|
| Chapter 4: | "Modeling Covalent Bonding in Solids by
Inversion of Cohesive Energy Curves," M. Z. Bazant and E. Kaxiras,
Phys. Rev. Lett.
77, 4370 (1996).
(4 pages ps, 170K or
54K gzipped,
http://xxx.lanl.gov/abs/mtrl-th/9604005).
"Derivation of Interatomic Potentials by Inversion of Ab Initio Cohesive Energy Curves," M. Z. Bazant and E. Kaxiras, in Materials Theory, Simulations and Parallel Algorithms , ed. by E. Kaxiras, J. Joannopoulos, P. Vashista, and R. Kalia, MRS 1995 Fall Meeting Symposia Proceedings 408, (Materials Research Society, Pittsburgh, 1996), 79. ( 5 pages PostScript, 170K or 51K gzipped).
|
|
Chapter 5: |
"Interatomic Potential for Condensed Phases and
and Bulk Defects in Silicon," J. F. Justo, M. Z. Bazant,
E. Kaxiras, V. V. Bulatov and S. Yip, Materials Research
Society Proceedings, Spring Meeting Symposium E (Materials
Research Society, Pittsburgh, 1997).
|
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