Tetragonal distortion and structural stability of indium at high pressures

S. Meenakshi, B. K. Godwal, R. S. Rao, V. Vijayakumar

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11 Scopus citations


A first-principles computation of tetragonal distortion, structural stability, and equation of state has been carried out for indium, using the linear muffin-tin orbital electron-band-theory technique. Results on the variation of tetragonal distortion (c/a) with compression show a broad maximum around V/V00.8 (19 GPa) in agreement with experimental data. We do not find 5s5p-to-5d electron transfer as speculated to be the cause of the maximum in c/a. However, our results reveal that the core overlap resulting from broadening of the 4d states is the probable reason for the turnover in the c/a ratio. Within the atomic-sphere approximation we find the face-centered orthorhombic phase to be marginally stable beyond 56 GPa in accord with the experiments of Takemura et al.

Original languageEnglish
Pages (from-to)6569-6572
Number of pages4
JournalPhysical Review B
Issue number10
StatePublished - 1 Jan 1994
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics


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