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Electronic structure of the antiferromagnetic semiconductor MnSb₂S₄
Matar, S. F., Weihrich, Richard, Kurowski, D., Pfitzner, Arno
and Eyert, V.
(2005)
Electronic structure of the antiferromagnetic semiconductor MnSb₂S₄.
Physical Review B (PRB) (71), 235207 1-235207 9.
Date of publication of this fulltext: 23 Dec 2009 11:39
Article
DOI to cite this document: 10.5283/epub.11834
Abstract
The electronic band structures of orthorhombic (oP28) and monoclinic (mC28) MnSb2S4 were investigated with ab initio calculations in the local spin density approximation to the density functional theory. An analysis of the electronic properties and of the chemical bonding is provided using the augmented spherical wave method considering nonmagnetic, ferromagnetic, ferrimagnetic, and ...
The electronic band structures of orthorhombic (oP28) and monoclinic (mC28) MnSb2S4 were investigated with ab initio calculations in the local spin density approximation to the density functional theory. An analysis of the electronic properties and of the chemical bonding is provided using the augmented spherical wave method considering nonmagnetic, ferromagnetic, ferrimagnetic, and antiferromagnetic model orderings. In agreement with experimental results both modifications of MnSb2S4 are predicted to be antiferromagnetic. While the experimental band gap is missed for the monoclinic polymorph, the calculated band gap for orthorhombic MnSb2S4 is close to the experimental one.
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| Item type | Article | ||||
| Journal or Publication Title | Physical Review B (PRB) | ||||
| Publisher: | AMER PHYSICAL SOC | ||||
|---|---|---|---|---|---|
| Place of Publication: | COLLEGE PK | ||||
| Number of Issue or Book Chapter: | 71 | ||||
| Page Range: | 235207 1-235207 9 | ||||
| Date | 2005 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich | ||||
| Identification Number |
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| Keywords | TRANSITION-METAL SULFIDES; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURES; SINGLE-CRYSTAL; MNS; RESISTIVITY; | ||||
| Dewey Decimal Classification | 500 Science > 530 Physics 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Unknown | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-118347 | ||||
| Item ID | 11834 |
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