Effect of three-body forces on the lattice dynamics of noble metals

Citation
Pr. Vyas et al., Effect of three-body forces on the lattice dynamics of noble metals, PRAMANA-J P, 56(4), 2001, pp. 559-568
Citations number
39
Categorie Soggetti
Physics
Journal title
PRAMANA-JOURNAL OF PHYSICS
ISSN journal
03044289 → ACNP
Volume
56
Issue
4
Year of publication
2001
Pages
559 - 568
Database
ISI
SICI code
0304-4289(200104)56:4<559:EOTFOT>2.0.ZU;2-P
Abstract
A simple method to generate an effective electron-ion interaction pseudopot ential From the energy wave number characteristic obtained by first princip les calculations has been suggested. This effective potential has been used , in third order perturbation, to study tile effect of three-body forces on the lattice dynamics of noble metals. It is found that three-body forces, in these metals, do play;In important role. The inclusion of such three-bod y forces appreciably improves the agreement between the experimental and th eoretical phonon dispersion curves.