Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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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)
  • Published : 2006.03.20
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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.

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References

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