Electronic Structures of Antiperovskite Superconductor MgCNi$_3$ and Related Compounds

Details Electronic Structures of Antiperovskite Superconductor MgCNi$_3$ and Related Compounds Electronic Structures of Antiperovskite Superconductor MgCNi$_3$ and Related Compounds

2001-10-22

arxiv.org/abs/cond-mat/0110448v1

J. Phys. Soc. Japan (2002)

Physics

Condensed Matter

Superconductivity

3 pages, presented at ORBITAL2001 September 11-14, 2001 (Sendai, JAPAN)

Scientific paper

Electronic structure of a newly discovered antiperovskite superconductor MgCNi$_3$ is investigated by using the LMTO band method. The main contribution to the density of states (DOS) at the Fermi energy $E_{\rm F}$ comes from Ni 3$d$ states which are hybridized with C 2$p$ states. The DOS at $E_{\rm F}$ is varied substantially by the hole or electron doping due to the very high and narrow DOS peak located just below $E_{\rm F}$. We have also explored electronic structures of C-site and Mg-site doped MgCNi$_3$ systems, and described the superconductivity in terms of the conventional phonon mechanism.

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