Corundum-based transparent infrared absorbers

Udo Schwingenschlögl, Cosima B. Schuster, Raymond Frésard

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

Hypothetical corundum-based compounds are studied by electronic structure calculations. One quarter of the Al atoms in Al2O3 is replaced by a 3d transition metal from the M = Ti, ..., Zn (d1, ..., d9) series. Structure optimisations are performed for all the M-Al2O3 compounds and the electronic states are evaluated. Due to the M substitutes, narrow partially filled bands are formed at the Fermi energy. Beyond, for M = Ni and M = Cu the optical properties of Al2O3 in the visible range are conserved, while for M = Ti, ..., Co the systems form high accuracy optical filters. Since the compounds absorb the infrared radiation, the M = Ni and M = Cu systems are good candidates for heat-protective coatings. © 2009 Elsevier B.V. All rights reserved.
Original languageEnglish (US)
Pages (from-to)62-67
Number of pages6
JournalChemical Physics Letters
Volume481
Issue number1-3
DOIs
StatePublished - Oct 2009

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: Useful discussions with K. Poeppelmeier and financial support by the Deutsche Forschungsgemeinschaft (SFB 484) are gratefully acknowledged.

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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