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Electron-concentration and pressure-induced structural changes in the alloys In1–xXx (X=Cd,Sn)
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics. Department of Physics and Materials Science, Physics IV. Department of Physisk. (fysik4, fysik5)
2005 (English)In: Phys. Rev. B, Vol. 72, 134202- p.Article in journal (Other (popular scientific, debate etc.)) Published
Abstract [en]

Electron-concentration and pressure-induced structural transitions in solid solutions In1–xCdx (0<=x<=0.1) and In1–xSnx (0<=x<=0.2) have been investigated by means of first principles calculations. At ambient pressure the structural sequence face-centered cubic --> body-centered tetragonal (c/a>sqrt(2)) --> body-centered tetragonal (c/a<sqrt(2)) is realized with increasing of valence electron concentration (VEC). High pressure has the same effect as the increase of electron concentration shifting the occurrence of the structural transitions to lower-valence electron concentration. The driving force behind the peculiar structural sequence is an enhancement of s-p hybridization with increasing VEC.

Place, publisher, year, edition, pages
2005. Vol. 72, 134202- p.
Identifiers
URN: urn:nbn:se:uu:diva-77300OAI: oai:DiVA.org:uu-77300DiVA: diva2:105212
Available from: 2006-04-17 Created: 2006-04-17 Last updated: 2011-01-11

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