Theoretical study of superconductivity in MgB2 and its alloys

[摘要] Using density-functional-based methods, we have studied the fully-relaxed, full-potential electronic structure of the newly discovered superconductor, MgB₂, and BeB₂, NaB₂ and AlB₂. Our results, described in terms of

[学科分类] 材料工程

[关键词] Superconductivity;MgB2;BeB2;NaB2;Al$B_2$.