| Numéro |
J. Phys. Colloques
Volume 49, Numéro C5, Octobre 1988
Interface Science and Engineering '87An International Conference on the Structure and Properties of Internal Interfaces |
|
|---|---|---|
| Page(s) | C5-131 - C5-138 | |
| DOI | https://doi.org/10.1051/jphyscol:1988510 | |
Interface Science and Engineering '87
An International Conference on the Structure and Properties of Internal Interfaces
J. Phys. Colloques 49 (1988) C5-131-C5-138
DOI: 10.1051/jphyscol:1988510
Laboratory of Atomic and Solid State Physics, Clark Hall, Cornell University, Ithaca, NY 14853-2501, U.S.A.
An International Conference on the Structure and Properties of Internal Interfaces
J. Phys. Colloques 49 (1988) C5-131-C5-138
DOI: 10.1051/jphyscol:1988510
THE PAIR POTENTIAL APPROACH FOR INTERFACES : FUNDAMENTAL PROBLEMS AND PRACTICAL SOLUTIONS
A.C. MAGGS et N.W. ASHCROFTLaboratory of Atomic and Solid State Physics, Clark Hall, Cornell University, Ithaca, NY 14853-2501, U.S.A.
Abstract
A fundamental problem in the use of a central pair-force model for defect problems is that it omits three-body and higher terms which are necessarily present in real systems. Electronic fluctuation effects are also usually omitted. While these can be small in the simple metals, they are significant in noble and transition metals, as shown by a simple real space argument. To gauge the importance of their effects in interface problems, the structure of a simple Σ 5 twist boundary is examined, with the atoms described by both pair- and three-center interactions and as a function of the relative strength of the two.