TOTAL-ENERGY CALCULATIONS OF SOLID H, LI, NA, K, RB, AND CS

被引：54

作者：

SIGALAS, M

BACALIS, NC

PAPACONSTANTOPOULOS, DA

MEHL, MJ

SWITENDICK, AC

机构：

[1] NATL HELLENIC RES FDN, GR-11635 ATHENS, GREECE

[2] USN, RES LAB, COMPLEX SYST THEORY BRANCH, WASHINGTON, DC 20375 USA

[3] SANDIA NATL LABS, ALBUQUERQUE, NM 87185 USA

来源：

PHYSICAL REVIEW B | 1990年 / 42卷 / 18期

关键词：

D O I：

10.1103/PhysRevB.42.11637

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Augmented-plane-wave calculations within the local-density approximation of the total energy of the solid alkali metals H, Li, Na, K, Rb, and Cs predict that except in Rb at T = O K the fcc structure is more stable than the bcc, which agrees with experiments for Li and Na.

引用

页码：11637 / 11643

页数：7

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