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

K. S. Lee; Dong Kyun 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, Dong Kyun Seo, M. H. Whangbo, H. Li, R. Mackay, S. J. Hwu

Arizona State University

Research output: Contribution to journal › Article

15 Citations (Scopus)

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
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
Publication status	Published - Nov 15 1997

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Vacancies

Modulation

anomalies

modulation

electrical resistivity

causes

Electronic structure

electronic structure

Atoms

atoms

ASJC Scopus subject areas

Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Chemistry

Cite this

Lee, K. S., Seo, D. K., Whangbo, M. H., Li, H., Mackay, R., & Hwu, S. J. (1997). Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu_7-xS₄(A=Tl, K, Rb). Journal of Solid State Chemistry, 134(1), 5-9. https://doi.org/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). / Lee, K. S.; Seo, Dong Kyun; Whangbo, M. H.; Li, H.; Mackay, R.; Hwu, S. J.

In: Journal of Solid State Chemistry, Vol. 134, No. 1, 15.11.1997, p. 5-9.

Research output: Contribution to journal › Article

Lee, KS, Seo, DK, Whangbo, MH, Li, H, Mackay, R & Hwu, SJ 1997, 'Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu_7-xS₄(A=Tl, K, Rb)', Journal of Solid State Chemistry, vol. 134, no. 1, pp. 5-9. https://doi.org/10.1006/jssc.1997.7506

Lee KS, Seo DK, Whangbo MH, Li H, Mackay R, Hwu SJ. Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu_7-xS₄(A=Tl, K, Rb). Journal of Solid State Chemistry. 1997 Nov 15;134(1):5-9. https://doi.org/10.1006/jssc.1997.7506

Lee, K. S. ; Seo, Dong Kyun ; Whangbo, M. H. ; Li, H. ; Mackay, R. ; Hwu, S. J. / Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu_7-xS₄(A=Tl, K, Rb). In: Journal of Solid State Chemistry. 1997 ; Vol. 134, No. 1. pp. 5-9.

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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.",

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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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10.1006/jssc.1997.7506