A route to transparent bulk metals

Udo Schwingenschlögl, Cosima B. Schuster, Raymond Frésard

Research output: Contribution to journalArticlepeer-review


Hypothetical compounds based on a sapphire host are investigated with respect to their structural as well as electronic features. The results are obtained by electronic structure calculations within density functional theory and the generalized gradient approximation. A quarter of the Al atoms in Al 2O 3 is replaced by a 4d transition metal M ion, with d 0 to d 9 electronic configuration. We perform structure optimizations for all the compounds and analyze the electronic states. Due to the sizeable band gap of the Al 2O 3 host, we can identify promising candidates for transparent bulk metals. We explain the mechanisms leading to this combination of materials properties. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Original languageEnglish (US)
Pages (from-to)327-330
Number of pages4
Journalphysica status solidi (RRL) - Rapid Research Letters
Issue number8
StatePublished - Jul 23 2012

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Useful discussions with K. Poeppelmeier and U. Luders are warmly acknowledged. Financial support by the Deutsche Forschungsgemeinschaft within TRR 80 (CS), by the Region Basse-Normandie and the Ministere de la Recherche is gratefully acknowledged.

ASJC Scopus subject areas

  • General Materials Science
  • Condensed Matter Physics


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