Open AccessStudy on the electronic structure and superconductivity of MgCNi3
Author(s) -
Chen Li,
Hua Li
Publication year - 2004
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.53.922
Subject(s) - superconductivity , doping , condensed matter physics , materials science , dopant , electronic structure , fermi level , perovskite (structure) , electronic band structure , cuprate , electron , physics , crystallography , chemistry , quantum mechanics
The electronic structures and superconductivity of a new superconducting perovskite material MgCNi3 are studied using MS-Xα calculation. In MgCNi3, the peak of density of states is located below the Fermi level, which is dominated by Ni d band. The electronic structures of MgCNi2T(T=CoMnCu) have been also investigated. It is confirmed that Co dopants in MgCNi3 behave as a source of d-band holes, and the suppression of superconductivity occurs faster for the Mn-doped case than for the Co-doped case. We study the effects of electron (Cu) doping on the superconductivity. It is found that both electron (Cu) doping and hole (Co, Mn) doping quench superconductivity. Comparing with the hole (Co) doping, we found that the suppression of superconductivity occurs faster for the Co-doped case than for the Cu-doped case.