| Numéro |
J. Phys. Colloques
Volume 51, Numéro C1, Janvier 1990
Proceeding of the International CongressIntergranular and Interphase Boundaries in materials |
|
|---|---|---|
| Page(s) | C1-873 - C1-878 | |
| DOI | https://doi.org/10.1051/jphyscol:19901137 | |
J. Phys. Colloques 51, C1-873-C1-878 (1990)
DOI: 10.1051/jphyscol:19901137
Department of Physics, University of Wales, College of Cardiff, GB-Cardiff CF1 3TH, Great-Britain
DOI: 10.1051/jphyscol:19901137
COMPUTER SIMULATION OF METAL-SEMICONDUCTOR AND SEMICONDUCTOR-SEMICONDUCTOR INTERFACES
C.C. MATTHAI et P. ASHUDepartment of Physics, University of Wales, College of Cardiff, GB-Cardiff CF1 3TH, Great-Britain
Abstract
A Si-Ge interatomic potential was used to calculate the energy difference between strained and unstrained Ge layers on Si(001) substrates as a function of the number of layers . From this we estimate the critical thickness for dislocation nucleation to be less than 12 layers . The embedded atom method was used to construct embedding functions and pair interactions for bulk Ni and NiSi2. This approach was then used to calculate the energy of the NiSi2/Si (111) interface from which we find that the interface interplanar separation in the Type B case is less than that for Type A.