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dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorSchuster, Cosima B.
dc.contributor.authorFrésard, Raymond
dc.date.accessioned2015-08-02T09:11:14Z
dc.date.available2015-08-02T09:11:14Z
dc.date.issued2009-10
dc.identifier.citationSchwingenschlögl, U., Schuster, C., & Frésard, R. (2009). Corundum-based transparent infrared absorbers. Chemical Physics Letters, 481(1-3), 62–67. doi:10.1016/j.cplett.2009.09.038
dc.identifier.issn00092614
dc.identifier.doi10.1016/j.cplett.2009.09.038
dc.identifier.urihttp://hdl.handle.net/10754/561435
dc.description.abstractHypothetical 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.
dc.description.sponsorshipUseful discussions with K. Poeppelmeier and financial support by the Deutsche Forschungsgemeinschaft (SFB 484) are gratefully acknowledged.
dc.publisherElsevier BV
dc.titleCorundum-based transparent infrared absorbers
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalChemical Physics Letters
dc.contributor.institutionUniversität Augsburg, Institut für Physik, D-86135 Augsburg, Germany
dc.contributor.institutionLaboratoire CRISMAT, UMR CNRS, ENSICAEN, Caen, France
kaust.personSchwingenschlögl, Udo


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