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

Research output: Contribution to journalArticle

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 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.

Original languageEnglish
Pages (from-to)5-9
Number of pages5
JournalJournal of Solid State Chemistry
Volume134
Issue number1
DOIs
Publication statusPublished - 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

Vacancy Ordering as the Cause for the Electrical Resistivity Anomalies and Superlattice Modulations inACu7-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 journalArticle

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