FCC-]BCT PHASE-TRANSITION IN TH AT EXTREME COMPRESSIONS - THEORY

被引：36

作者：

ERIKSSON, O

SODERLIND, P

WILLS, JM

机构：

[1] LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545

[2] UNIV UPPSALA,DEPT PHYS,CONDENSED MATTER THEORY GRP,S-75105 UPPSALA,SWEDEN

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 21期

关键词：

D O I：

10.1103/PhysRevB.45.12588

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The experimentally observed fcc --> bct crystallographic phase transition in Th, at approximately 1 Mbar, is reproduced by means of full-potential, linear-muffin-tin-orbitals calculations. Both the calculated volume and pressure for which the transition occurs, agrees with the experimental data. The calculated pressure dependence of the c/a ratio of the bct structure is also in good agreement with experimental data. Calculations for La predict the fcc phase to be stable over the bct phase up to approximately 7 Mbar.

引用

页码：12588 / 12591

页数：4

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