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Theoretical studies on the band structures of superconducting solid compounds: Nb 3 X (X=Si, Ge, Sn, Pb)
Author(s) -
Cai ShuHui,
Li Jun,
Liu ChunWan
Publication year - 1994
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19940120501
Subject(s) - chemistry , superconductivity , solid solution , electronic band structure , extended hückel method , condensed matter physics , crystal structure , electronic band , electronic structure , superconducting transition temperature , crystallography , computational chemistry , molecular orbital , molecule , physics , organic chemistry
The band structures of several analogous superconducting A‐15 type solid compounds, Nb 3 X (X=Si, Ge, Sn, Pb), have been calculated by use of the tight‐binding method within the Extended Hückel approximation (EHT). By analysis of their energy bands, densities of states and crystal orbital overlap populations, the dependence of the superconducting transition temperatures ( T c ) on the electronic structures and bondings is qualitatively elucidated.