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Electronic and magnetic properties and chemical bonding ofCeMSn(M=Rh,Ru)from first principles

2007/08/01 by S. F. Matar, Samir F. Matar, Jan F. Riecken +7 · 3 citations
Materials Science · Physics and Astronomy · #Iron-based superconductors research #Magnetic and transport properties of perovskites and related materials #Rare-earth and actinide compounds #cond-mat.mtrl-sci #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.76.174434

published as Phys. Rev. B 76, 174434 (2007) · 6 pages, 7 figures, for more information see http://www.physik.uni-augsburg.de/~eyert/

arxiv created 2007/08/01 · openalex publication_date 2007/11/26 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

The electronic structures of CeRhSn and CeRuSn are self-consistently calculated within density functional theory using the local spin density approximation for exchange and correlation. In agreement with experimental findings, the analyses of the electronic structures and of the chemical bonding properties point to the absence of magnetization within the mixed-valent Rh-based system, while a finite magnetic moment is observed for trivalent cerium within the Ru-based stannide, which contains both trivalent and intermediate-valent Ce.

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