An ab initio approach on superconducting properties of Mo3X(X = Si,Ga,Ge) compounds

Autor:	R. Krithiga, G. Subhashree, Sambasivam Sankar
Rok vydání:	2015
Předmět:	Superconductivity Bulk modulus Materials science Condensed matter physics Ab initio Statistical and Nonlinear Physics Fermi energy Electronic structure Condensed Matter Physics symbols.namesake symbols Density of states Electronic band structure Debye model
Zdroj:	Modern Physics Letters B. 29:1550094
ISSN:	1793-6640 0217-9849
DOI:	10.1142/s0217984915500943
Popis:	Self-consistent first principles calculations on type II weakly coupled superconducting [Formula: see text] compounds of A15 phase are performed to understand their fundamental characteristics of the electronic, thermal and superconducting properties. The bulk modulus [Formula: see text], Debye temperature [Formula: see text], density of states (DOS) [Formula: see text], electron–phonon coupling constant [Formula: see text], superconducting transition temperature [Formula: see text], and electronic specific heat coefficient [Formula: see text] have been computed in terms of the electronic structure results, obtained by using the tight-binding linear muffin-tin orbital method. It is observed that all the three materials have their electronic properties dominated by d-orbital at Fermi energy. Thermal and superconducting properties calculated here are found to corroborate well with the experimental results of literature.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5c156f4e9e70e3947ab8a7ccd73124f6 https://doi.org/10.1142/s0217984915500943 Zobrazit plný text záznamu