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

Pramana

T C Pandya¹  C V Pandya¹  V B Gohel¹  P R Vyas¹ 

[1] Department of Physics, School of Sciences, Gujarat University, Ahmedabad 380 009, India$$

关键词: Noble metals;    three-body forces;    lattice dynamics.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

A simple method to generate an effective electron–ion interaction pseudopotential from the energy wave number characteristic obtained by first principles calculations has been suggested. This effective potential has been used, in third order perturbation, to study the effect of three-body forces on the lattice dynamics of noble metals. It is found that three-body forces, in these metals, do play an important role. The inclusion of such three-body forces appreciably improves the agreement between the experimental and theoretical phonon dispersion curves.

【 授权许可】

Unknown