Abstract
We have investigated electronic structures of a newly discovered antiperovskite superconductor and related compounds and In a peak of very narrow and high density of states is located just below the Fermi level, which corresponds to the antibonding state of Ni and C but with the predominant Ni character. The prominent nesting feature is observed in the -centered electron Fermi surface of an octahedron-cage-like shape that originates from the 19th band. The estimated superconducting parameters are in reasonable agreement with experiment, suggesting that the superconductivity in is described properly by the conventional BCS phonon mechanism.
- Received 25 June 2001
DOI:https://doi.org/10.1103/PhysRevB.64.180510
©2001 American Physical Society