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Topological properties and electronic structures of compounds with pyrite-type crystal structures

Stückl, A. C., Weihrich, Richard and Range, Klaus Jürgen (2002) Topological properties and electronic structures of compounds with pyrite-type crystal structures. In: Feng, S.H. and Chen, J.S., (eds.) FRONTIERS OF SOLID STATE CHEMISTRY Proceedings of the International Symposium on Solid State Chemistry in China. , pp. 117-124.

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Abstract

SiP2, FeS2, and AuSb2 crystallize with pyrite structure. The structural topologies of the three compounds are comparable, while their constituting elements belong to very different groups of the periodic system of the elements. This fact motivates our interest in finding some criteria for the stability of their atomic arrangements. We used density functional methods (LCAO-CO Ansatz) to ...

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Item type:Book section
Date:2002
Institutions:Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich
Chemistry and Pharmacy > Institut für Anorganische Chemie > Alumni or Retired Professors > Prof. Dr. Klaus-Jürgen Range
Identification Number:
ValueType
10.1142/9789812776846_0016DOI
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:13928
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