TY - JOUR
T1 - Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu7-xS4(A=Tl, K, Rb)
AU - Lee, K. S.
AU - Seo, D. K.
AU - Whangbo, M. H.
AU - Li, H.
AU - Mackay, R.
AU - Hwu, S. J.
N1 - Funding Information:
This work was supported by the U.S. Department of Energy, Office of Basic Sciences, Division of Materials Sciences, under Grant DE-FG05-86ER45259. Work at The Catholic University of Korea was supported by Grant C044677-I and by Grant BSRI-96-3421 from Ministry of Education. Acknowledgment is also made to the Donors of The Petroleum Research Fund, administered by the American Chemical Society, for support of this research (S.J.H.).
PY - 1997/11/15
Y1 - 1997/11/15
N2 - The electronic structure of KCu7S4was calculated using the extended Hückel tight binding method, and the origin of the resistivity anomalies and the superlattice reflections ofACu7-xS4(A=Tl, K, Rb) was probed. The present work shows thatACu7-xS4(A=Tl, K, Rb) can be metallic only forx>0 and that the superlattice modulations ofACu7-xS4(A=Tl, K, Rb) are caused by the vacancy ordering in the Cu(2) atom sites. The resistivity anomalies ofACu7-xS4are explained in terms of the vacancy ordering in the Cu(2)-Cu(2) chains.
AB - The electronic structure of KCu7S4was calculated using the extended Hückel tight binding method, and the origin of the resistivity anomalies and the superlattice reflections ofACu7-xS4(A=Tl, K, Rb) was probed. The present work shows thatACu7-xS4(A=Tl, K, Rb) can be metallic only forx>0 and that the superlattice modulations ofACu7-xS4(A=Tl, K, Rb) are caused by the vacancy ordering in the Cu(2) atom sites. The resistivity anomalies ofACu7-xS4are explained in terms of the vacancy ordering in the Cu(2)-Cu(2) chains.
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U2 - 10.1006/jssc.1997.7506
DO - 10.1006/jssc.1997.7506
M3 - Article
AN - SCOPUS:0005315473
VL - 134
SP - 5
EP - 9
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
SN - 0022-4596
IS - 1
ER -