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Ruby's Optical Transitions: Effects of Pressure-Induced Phase Transformation

Published online by Cambridge University Press:  10 February 2011

Wenhui Duan
Affiliation:
Department of Chemical Engineering and Materials Science, and Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN 55455, USA
G. Paiva
Affiliation:
Department of Chemical Engineering and Materials Science, and Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN 55455, USA Instituto de Física, Univ. de Sao Paulo, CP 66318, 0 5389–970, Sao Paulo, SP, Brazil
Renata M. Wentzcovitch
Affiliation:
Department of Chemical Engineering and Materials Science, and Minnesota Supercomputer Institute, University of Minnesota, Minneapolis, MN 55455, USA Instituto de Física, Univ. de Sao Paulo, CP 66318, 0 5389–970, Sao Paulo, SP, Brazil
A. Fazzio
Affiliation:
Instituto de Física, Univ. de Sao Paulo, CP 66318, 0 5389–970, Sao Paulo, SP, Brazil
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Abstract

Here we summarize our investigation of the effect of a recently observed phase transformation on ruby's optical transitions. This study involved a first principles calculation of the electronic and structural properties of a chromium impurity in alumina host lattices and a subsequent calculation of the multiple structure using eigenvalues and eigenvectors derived from the first principles calculation. This investigation is relevant to clarify the behavior of the fluorescent optical transitions which are used as pressure sensor in diamond anvil experiments across the structural transformation.

Type
Research Article
Copyright
Copyright © Materials Research Society 1998

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