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http://dx.doi.org/10.5012/bkcs.2006.27.3.363

The Origin of the Metal-insulator Transitions in Non-stoichiometric TlCu3-xS2 and α-BaCu2-xS2  

Jung, Dong-woon (Department of Chemistry and the Institute of Natural Basic Sciences, Wonkwang University)
Choi, Hyun-Guk (Department of Chemistry and the Institute of Natural Basic Sciences, Wonkwang University)
Kim, Han-jin (Department of Chemistry and the Institute of Natural Basic Sciences, Wonkwang University)
Publication Information
Bulletin of the Korean Chemical Society / v.27, no.3, 2006 , pp. 363-367 More about this Journal
Abstract
The structure-property relations of ternary copper chalcogenides, $TlCu_{3-x}S_2$ and $\alpha-BaCu_{2-x}S_2$ are examined. The density of states, band dispersions, and Fermi surfaces of these compounds are investigated to verify the reason of the metal-insulator transitions by extended Huckel tight-binding band calculations. The origin of the metalinsulator transitions of non-stoichiometric $TlCu_{3-x}S_2$ and $\alpha-BaCu_{2-x}S_2$ is thought to be the electronic instability induced by their Fermi surface nesting.
Keywords
Metal-insulator transition; Fermi surface nesting;
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