Magnetism of UT2Si2 (T=Cr,Mn,Fe,Co,Ni,Cu,Ru,Rh,Pd,Os) from spin-density-functional calculations

L. M. Sandratskii and J. Kübler
Phys. Rev. B 50, 9258 – Published 1 October 1994
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Abstract

The electronic structure of UT2Si2, where T=Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd, Os, is determined by means of self-consistent density-functional calculations in the local approximation treating the U 5f states as band states. A pronounced trend in the hybridization strength is exposed and is deduced to give rise to the different magnetic properties of the compounds. In agreement with experiment, the nonmonotonic behavior in the subseries containing 3d elements is reproduced, especially the state of UFe2Si2 which is nonmagnetic in contrast to the other 3d members. The underlying physics of this fact is explained. Furthermore, special features of the heavy-fermion system URu2Si2 are discussed.

  • Received 7 April 1994

DOI:https://doi.org/10.1103/PhysRevB.50.9258

©1994 American Physical Society

Authors & Affiliations

L. M. Sandratskii and J. Kübler

  • Institut für Festkörperphysik, Technische Hochschule, D-64289 Darmstadt, Germany

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Issue

Vol. 50, Iss. 13 — 1 October 1994

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