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    Corundum-based transparent infrared absorbers

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    Type
    Article
    Authors
    Schwingenschlögl, Udo cc
    Schuster, Cosima B.
    Frésard, Raymond
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2009-10
    Permanent link to this record
    http://hdl.handle.net/10754/561435
    
    Metadata
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    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.
    Citation
    Schwingenschlögl, 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
    Sponsors
    Useful discussions with K. Poeppelmeier and financial support by the Deutsche Forschungsgemeinschaft (SFB 484) are gratefully acknowledged.
    Publisher
    Elsevier BV
    Journal
    Chemical Physics Letters
    DOI
    10.1016/j.cplett.2009.09.038
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.cplett.2009.09.038
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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