Phase stability and electronic structure of k-ag intermetallics at high pressure

J. S. Tse, G. Frapper, A. Ker, R. Rousseau, D. D. Klug

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Abstract

The very unusual structural features observed in the recently characterized high pressure novel K-Ag alloys can be rationalized using simple electron counting rules and a moment analysis of the electronic density of states. The stability of the alloys is attributed to almost complete electron transfer from K 4s bands to Ag 5s bands and spatially extended Ag 5p bands. This allows for efficient Ag-Ag bonding interactions at an unusually long distance of 5.54 Å and exceptionally short K-K bonds due to reduced repulsive interactions between the K+ ions. The general principles developed here are applicable to the understanding of the structure and bonding of other high pressure intermetallic alloys.

Original languageEnglish
Pages (from-to)4472-4475
Number of pages4
JournalPhysical review letters
Volume82
Issue number22
DOIs
Publication statusPublished - Jan 1 1999

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ASJC Scopus subject areas

  • Physics and Astronomy(all)

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