Ruby's optical transitions: effects of pressure-induced phase transformation

摘要

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 florescent optical transitons which are used as pressure sensor in diamond anvil experiments across the structural transformation.