Electronic structure of MgB2

被引：4

作者：

P Modak

R S Rao

B K Godwal

S K Sikka

机构：

[1] Bhabha Atomic Research Centre,High Pressure Physics Division

来源：

Pramana | 2002年 / 58卷

关键词：

Electronic band structure; superconductivity; 74.25.Jb; 74.70.Ad;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Results of ab initio electronic structure calculations on the compound MgB2 using the FPLAPW method employing GGA for the exchange-correlation energy are presented. Total energy minimization enables us to estimate the equilibrium volume, c/a ratio and the bulk modulus, all of which are in excellent agreement with experiment. We obtain the mass enhancement parameter by using our calculated D (EF) and the experimental specific heat data. The Tc is found to be 24.7 K.

引用

页码：881 / 884

页数：3