ELECTRONIC-STRUCTURE AND SUPERCONDUCTIVITY IN PD-AG-H AND PD-RH-H ALLOYS

被引：40

作者：

PAPACONSTANTOPOULOS, DA ^{[1
]}

ECONOMOU, EN ^{[1
]}

KLEIN, BM ^{[1
]}

BOYER, LL ^{[1
]}

机构：

[1] UNIV ATHENS,ATHENS,GREECE

来源：

PHYSICAL REVIEW B | 1979年 / 20卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.20.177

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 have calculated the energy bands and the densities of states (DOS) of RhH, PdH, and AgH. We have also calculated the DOS for the nonstoichiometric hydrides Pd1-yAgyHx and Pd1-yRhyHx within the virtual-crystal approximation (VCA) and the rigid-band approximation (RBA). We present evidence from coherent-potential-approximation calculations that our DOS values in the vicinity of the Fermi level are reliable. The DOS decomposed per site and angular-momentum component are used to calculate the electron-phonon interaction and the superconducting transition temperature, Tc, for various compositions of the above alloys. Our results are in good agreement with experiment and provide a satisfactory understanding of the variation of Tc with x and y and also of the isotope effect in these systems. © 1979 The American Physical Society.

引用

页码：177 / 183

页数：7