We have studied superconducting properties of compressed and doped MgB2 by performing first-principles calculations of the normal material properties and by solving the fully anisotropic Eliashberg equations. At each pressure or doping, electronic structures, phonon spectra, and momentum-dependent electron-phonon coupling strengths are calculated. Then using the fully anisotropic Eliashberg equations, the superconducting transition temperatures (Tc), the superconducting energy gaps [Δ (k)], and the specific heats are obtained. Our results show that the multiple-gap nature of Δ (k) in MgB2 is robust with applied pressure although Tc and Δ (k) decrease substantially and that electron doping reduces Tc and degrades severely the superconducting energy gap in the π bands.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2009 Mar 3|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics