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In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets
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Florian Pielnhofer
Veröffentlicht/Copyright:
2. Juni 2014
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.
Graphical Abstract
In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets
Received: 2013-7-30
Published Online: 2014-6-2
Published in Print: 2014-1-1
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Schlagwörter für diesen Artikel
Half-metallic Ferromagnet;
Shandite;
Half Anti Perovskite (HAP);
DFT
Artikel in diesem Heft
- The Hexaammine Copper(II) Fluoride Monohydrate [Cu(NH3)6][F(H2O)F]: Synthesis and Crystal Structure
- Fluorodinitroethyl Ortho-carbonate and -formate as Potential High Energy Dense Oxidizers
- Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O
- Phosphanchalkogenide und ihre Metallkomplexe. II. Komplexe einiger Gold(I)-Halogenide mit Diphosphanmonochalkogeniden [1] / Phosphane Chalcogenides and their Metal Complexes. II. Gold(I) Halide Complexes of some Diphosphane Monochalcogenides
- Synthesis, Crystal Structures and Properties of Two Heterometallic Complexes [Cu2M] (M = Cd, Mn) with a Novel Oxamato-bridged Ligand
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- Syntheses, Crystal Structures and Magnetic Properties of Two Nickel(II) Compounds with 4,4´- Bipyridine Ligands
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- Synthesis, Characterization and Antifungal Evaluation of Novel 2H-1,4-Benzoxazin-3(4H)-one Derivatives Linked with a 1,2,3-Triazole Moiety
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