A charge density study of the intermetallic compound MgCu2 by the maximum entropy method

Y. Kubota, M. Takata, M. Sakata, T. Ohba, K. Kifune, T. Tadaki

Research output: Contribution to journalArticlepeer-review

31 Citations (Scopus)

Abstract

The charge density distribution of the intermetallic compound MgCu2 is obtained by the maximum entropy method (MEM) from the synchrotron powder diffraction data. In the MEM charge density map, the overlap of electron densities was clearly observed between the neighbouring Cu atoms. This clearly shows that there is a rather strong covalent bond between Cu-Cu atoms. It is also found that the Cu-Cu bonding is along the very well known kagome net, which characterizes the Laves phase structure. At least, in the case of MgCu2, the kagomé network is the electronic network in reality rather than a geometrical concept to represent structural characteristics of Laves phase compounds.

Original languageEnglish
Pages (from-to)1253-1259
Number of pages7
JournalJournal of Physics Condensed Matter
Volume12
Issue number7
DOIs
Publication statusPublished - 2000 Feb 21
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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