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In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets

In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets Substitution effects on magnetism of shandite-type compounds have been studied by density functional theory. The decrease of the Fermi level in the novel half-metallic ferromagnet Sn2Co3S2 to higher maxima of the density of states was modeled for substitutions on the Co site by the 3d metals Fe, Mn and Cr due to a rigid band scheme. Spin-polarized energy hyper surfaces and densities of states are calculated for Sn2Co3S2, and experimentally not yet known Sn2Fe3S2, Sn2Mn3S2 and Sn2Cr3S2 with shandite-type structure. The stability of half-metallic ferromagnetic characteristics, Slater-Pauling behavior, and alternative metastable spin states are discussed. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Zeitschrift für Naturforschung B de Gruyter

In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets

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References (2)

Publisher
de Gruyter
Copyright
© 1946 – 2014: Verlag der Zeitschrift für Naturforschung
ISSN
0932-0776
eISSN
1865-7117
DOI
10.5560/znb.2014-3203
Publisher site
See Article on Publisher Site

Abstract

Substitution effects on magnetism of shandite-type compounds have been studied by density functional theory. The decrease of the Fermi level in the novel half-metallic ferromagnet Sn2Co3S2 to higher maxima of the density of states was modeled for substitutions on the Co site by the 3d metals Fe, Mn and Cr due to a rigid band scheme. Spin-polarized energy hyper surfaces and densities of states are calculated for Sn2Co3S2, and experimentally not yet known Sn2Fe3S2, Sn2Mn3S2 and Sn2Cr3S2 with shandite-type structure. The stability of half-metallic ferromagnetic characteristics, Slater-Pauling behavior, and alternative metastable spin states are discussed.

Journal

Zeitschrift für Naturforschung Bde Gruyter

Published: Jan 1, 2014

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