CALCULATIONS OF THE TOTAL-ENERGY, ELECTRON-PHONON INTERACTION, AND STONER PARAMETER FOR METALS

被引：70

作者：

SIGALAS, MM ^{[1
]}

PAPACONSTANTOPOULOS, DA ^{[1
]}

机构：

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

来源：

PHYSICAL REVIEW B | 1994年 / 50卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.50.7255

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using the augmented-plane-wave method, we performed total-energy calculations for all the metals crystallizing in the hcp structure and for all the 5d metals in the hcp structure. Also, using the predicted equilibrium lattice constants from our present and previous total-energy calculations, we carried out band-structure calculations that explore possibilities for superconductivity and magnetism in all the transition metals in the fee, bcc, and hcp structures.

引用

页码：7255 / 7261

页数：7

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