THEORETICAL-STUDY OF HIGH-PRESSURE PHASES OF TIN

被引：27

作者：

CORKILL, JL ^{[1
]}

GARCIA, A ^{[1
]}

COHEN, ML ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT SCI,BERKELEY,CA 94720

来源：

PHYSICAL REVIEW B | 1991年 / 43卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.43.9251

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

High-pressure phases of Sn are investigated with use of the first-principles pseudopotential total-energy method. The T = 0 calculations accurately reproduce the structural parameters of the low-pressure modifications alpha-Sn and beta-Sn and predict a transition to either bcc or bct at high pressure. The calculated compression ratio of the body-centered phase at high pressure also agrees well with experiment.

引用

页码：9251 / 9254

页数：4

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