MODIFIED MOBIUS-INVERSION TRANSFORM AND INTERATOMIC PAIR POTENTIALS IN THE BCC-METALS MO AND CR

被引：12

作者：

LI, M ^{[1
]}

LIU, SJ ^{[1
]}

CHEN, NX ^{[1
]}

TENG, YG ^{[1
]}

ZHANG, WX ^{[1
]}

ZHANG, SZ ^{[1
]}

机构：

[1] BEIJING INST APPL PHYS & COMPUTAT MATH,BEIJING 100088,PEOPLES R CHINA

来源：

PHYSICS LETTERS A | 1992年 / 169卷 / 05期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1016/0375-9601(92)90242-E

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The modified Mobius inversion formula for the bcc lattice is applied for the first time to convert the cohesive energy into the interatomic pair potentials for Mo and Cr respectively. The accuracy and convergence speed of the calculations are discussed in detail. Some elastic constants are calculated and compared with the experiment.

引用

页码：364 / 370

页数：7

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