Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu7-xS4(A=Tl, K, Rb)

K. S. Lee; D. K. Seo; M. H. Whangbo; H. Li; R. Mackay; S. J. Hwu

doi:10.1006/jssc.1997.7506

Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu_7-xS₄(A=Tl, K, Rb)

K. S. Lee, D. K. Seo, M. H. Whangbo, H. Li, R. Mackay, S. J. Hwu

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

The electronic structure of KCu₇S₄was calculated using the extended Hückel tight binding method, and the origin of the resistivity anomalies and the superlattice reflections ofACu_7-xS₄(A=Tl, K, Rb) was probed. The present work shows thatACu_7-xS₄(A=Tl, K, Rb) can be metallic only forx>0 and that the superlattice modulations ofACu_7-xS₄(A=Tl, K, Rb) are caused by the vacancy ordering in the Cu(2) atom sites. The resistivity anomalies ofACu_7-xS₄are explained in terms of the vacancy ordering in the Cu(2)-Cu(2) chains.

Original language	English (US)
Pages (from-to)	5-9
Number of pages	5
Journal	Journal of Solid State Chemistry
Volume	134
Issue number	1
DOIs	https://doi.org/10.1006/jssc.1997.7506
State	Published - Nov 15 1997
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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@article{f5dee90f6cf644e9be8969fa2a934178,

title = "Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu7-xS4(A=Tl, K, Rb)",

abstract = "The electronic structure of KCu7S4was calculated using the extended H{\"u}ckel 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.",

author = "Lee, {K. S.} and Seo, {D. K.} and Whangbo, {M. H.} and H. Li and R. Mackay and Hwu, {S. J.}",

note = "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.).",

year = "1997",

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day = "15",

doi = "10.1006/jssc.1997.7506",

language = "English (US)",

volume = "134",

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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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Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu_7-xS₄(A=Tl, K, Rb)

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