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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 27, Number 3
BKCSDE 27(3)
March 20, 2006 

The Origin of the Metal-insulator Transitions in Non-stoichiometric TlCu3-xS2 and α-BaCu2-xS2
Dongwoon Jung*, Hyun-Guk Choi, Hanjin Kim
Metal-insulator transition, Fermi surface nesting
The structure-property relations of ternary copper chalcogenides, TlCu3-xS2 and α-BaCu2-xS2 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 TlCu3-xS2 and α-BaCu2-xS2 is thought to be the electronic instability induced by their Fermi surface nesting.
363 - 367
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