Optical transitions in ruby across the Corundum to Rh2O3(II) phase transformation

Wenhui Duan, G. Paiva, Renata M. Wentzcovitch, A. Fazzio

Research output: Contribution to journalArticlepeer-review

40 Scopus citations


First principles calculations of a substitutional chromium impurity in Al2O3 and analysis of its multiplet structure reveal that the major effect of the corundum to Rh2O3 (II) phase transformation in ruby’s optical transitions should be a redshift of the broad U and Y absorption lines across the transformation. A similar phenomenon is experimentally detected above 30 GPa, which is too low a pressure to attribute this phenomenon to a phase transition in the host. However, an anomalous relaxation around the impurity in corundum could explain the observed frequency shifts. The underlying cause of such abnormal relaxation could be a similar transformation in Cr2O3 taking place below 30 GPa. The centroids of the R, R′ and B lines are quite insensitive to the transformation.

Original languageEnglish (US)
Pages (from-to)3267-3270
Number of pages4
JournalPhysical review letters
Issue number15
StatePublished - 1998


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