PRESSURE-DEPENDENCE OF THE TRANSVERSE OPTICAL-MODE GRUNEISEN-PARAMETER OF CRYSTALS

被引：2

作者：

TRIBE, L ^{[1
]}

FRACCHIA, RM ^{[1
]}

BRUNO, JAO ^{[1
]}

BATANA, A ^{[1
]}

机构：

[1] UNIV BUENOS AIRES,FAC CIENCIAS EXACTAS & NAT,DEPT QUIM INORGAN,QUIM TEOR GRP,BUENOS AIRES,DF,ARGENTINA

来源：

COMPUTERS & CHEMISTRY | 1995年 / 19卷 / 04期

关键词：

D O I：

10.1016/0097-8485(95)00043-R

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A program has been developed to calculate the Gruneisen parameter gamma(t) = -partial derivative In omega(b)/partial derivative ln V for crystals of NaCl, CsCl, CaF2 and zincblende structures. It allows for the use of different models, various interaction potentials and their parametrizations.

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收藏

页码：403 / 408

页数：6

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