Electronic structure of MgB2

Pramana

P Modak1¹  B K Godwal¹  R S Rao¹  S K Sikka¹ 

[1] High Pressure Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India$$

关键词: Electronic band structure;    superconductivity.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 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.

【 授权许可】

Unknown