CALCULATION OF ENERGY BARRIERS FOR PHYSICALLY ALLOWED LATTICE-INVARIANT STRAINS IN ALUMINUM AND IRIDIUM

被引：29

作者：

MEHL, MJ

BOYER, LL

机构：

[1] Naval Research Laboratory, Washington

来源：

PHYSICAL REVIEW B | 1991年 / 43卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.43.9498

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Total-energy calculations using the full-potential linearized augmented-plane-wave method are employed to determine the energy barrier for physically allowed lattice-invariant strains in iridium (which has a high melting point) and aluminum (for which the melting point is relatively low). The barrier heights are found to correspond qualitatively with their corresponding melting temperatures, and the calculated shear elastic moduli agree favorably with experimental values.

引用

页码：9498 / 9502

页数：5

共 27 条

[1] ATOMIC DISPLACEMENT RELATIONSHIP TO CURIE TEMPERATURE AND SPONTANEOUS POLARIZATION IN DISPLACIVE FERROELECTRICS [J].