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Electronic structure of the ferromagnetic superconductor UCoGe from first principles

Abstract:


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+UH) 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.

 Pablo de la Mora1,2 and O Navarro3 

1 Departamento de F´Ä±sica, Facultad de Ciencias, Universidad Nacional Aut´onoma de M´exico, Apartado Postal 70-542, 04510 M´exico D.F., M´exico
 2 Instituto de Investigaciones Metal´urgicas, Universidad Michoacana de San Nicol´as de Hidalgo, Morelia, Michoac´an, M´exico E-mail: delamora@servidor.unam.mx
 3 Instituto de Investigaciones en Materiales, Universidad Nacional Aut´onoma de M´exico, Apartado Postal 70-360, 04510 M´exico D.F., M´exico



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