Direkt zum Inhalt

Matar, S. F. ; Weihrich, Richard ; Kurowski, D. ; Pfitzner, Arno ; Eyert, V.

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.



Involved Institutions


Details

Item typeArticle
Journal or Publication TitlePhysical 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
Date2005
InstitutionsChemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner
Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich
Identification Number
ValueType
10.1103/PhysRevB.71.235207DOI
KeywordsTRANSITION-METAL SULFIDES; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURES; SINGLE-CRYSTAL; MNS; RESISTIVITY;
Dewey Decimal Classification500 Science > 530 Physics
500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgUnknown
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-118347
Item ID11834

Export bibliographical data

Owner only: item control page

nach oben