2003/04/18 by Prabhakar P. Singh
Materials Science · Physics and Astronomy · #Hydrogen Storage and Materials #Superconductivity in MgB2 and Alloys #Thermal Expansion and Ionic Conductivity #cond-mat.mtrl-sci #cond-mat.supr-con
paper · pdf · doi:10.1016/s0038-1098(03)00426-5
published as Solid State Commun. 127, 271 (2003) · 9 pages, 5 figures
arxiv created 2003/04/18 · openalex publication_date 2003/06/09 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We have studied the changes in the electronic structure and the superconducting transition temperature Tc of Mg(B1-xCx)2 alloys as a function of x with 0≤ x≤ 0.3. Our density-functional-based approach uses coherent-potential approximation to describe the effects of disorder, Gaspari-Gyorffy formalism to estimate the electron-phonon matrix elements and Allen-Dynes equation to calculate Tc in these alloys. We find that the changes in the electronic structure of Mg(B1-xCx)2 alloys, especially near the Fermi energy EF, come mainly from the outward movement of EF with increasing x, and the effects of disorder in the B plane are small. In particular, our results show a sharp decline in both B and C px(y) states for 0.2≤ x≤ 0.3. Our calculated variation in Tc of Mg(B1-xCx)2 alloys is in qualitative agreement with the experiments.