Pielnhofer, Florian and Tragl, Amadeus Samuel and Rothballer, Jan and Weihrich, Richard (2014) In Search for Novel Sn2Co3S2-based Half-metal Ferromagnets. ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 69 (1). pp. 55-61. ISSN 0932-0776, 1865-7117
Full text not available from this repository. (Request a copy)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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ELECTRONIC-STRUCTURE; ANTIPEROVSKITES; NICKEL; MAGNETORESISTANCE; TIN; Half-metallic Ferromagnet; Shandite; Half Anti Perovskite (HAP); DFT |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 29 Nov 2019 11:17 |
| Last Modified: | 29 Nov 2019 11:17 |
| URI: | https://pred.uni-regensburg.de/id/eprint/11037 |
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