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Electronic structure of the antiferromagnetic semiconductor MnSb₂S₄
Matar, S. F., Weihrich, Richard, Kurowski, D., Pfitzner, Arno
und Eyert, V.
(2005)
Electronic structure of the antiferromagnetic semiconductor MnSb₂S₄.
Physical Review B (PRB) (71), 235207 1-235207 9.
Veröffentlichungsdatum dieses Volltextes: 23 Dez 2009 11:39
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.11834
Zusammenfassung
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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| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Physical Review B (PRB) | ||||
| Verlag: | AMER PHYSICAL SOC | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | COLLEGE PK | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 71 | ||||
| Seitenbereich: | 235207 1-235207 9 | ||||
| Datum | 2005 | ||||
| Institutionen | Chemie und Pharmazie > Institut für Anorganische Chemie > Lehrstuhl Prof. Dr. Arno Pfitzner Chemie und Pharmazie > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich | ||||
| Identifikationsnummer |
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| Stichwörter / Keywords | TRANSITION-METAL SULFIDES; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURES; SINGLE-CRYSTAL; MNS; RESISTIVITY; | ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Unbekannt / Keine Angabe | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-118347 | ||||
| Dokumenten-ID | 11834 |
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