Electronic structure of the ferromagnetic superconductor UCoGe from first principles

Details Electronic structure of the ferromagnetic superconductor UCoGe from first principles Electronic structure of the ferromagnetic superconductor UCoGe from first principles

2007-09-14

arxiv.org/abs/0709.2351v4

J. Phys.: Condens. Matter 20 (2008) 285221

Physics

Condensed Matter

Superconductivity

Scientific paper

10.1088/0953-8984/20/28/285221

The superconductor UCoGe is analyzed with electronic structure calculations using Linearized Augmented Plane Wave method based on Density Functional Theory. Ferromagnetic and antiferromagnetic calculations with and without correlations (via LDA+U) were done. In this compound the Fermi level is situated in a region where the main contribution to DOS comes from the U-5f orbital. The magnetic moment is mainly due to the Co-3d orbital with a small contribution from the U-5f orbital. The possibility of fully non-collinear magnetism in this compound seems to be ruled out. These results are compared with the isostructural compound URhGe, in this case the magnetism comes mostly from the U-5f orbital.

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