Corundum-based transparent infrared absorbers

Handle URI:
http://hdl.handle.net/10754/561435
Title:
Corundum-based transparent infrared absorbers
Authors:
Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Schuster, Cosima B.; Frésard, Raymond
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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Elsevier BV
Journal:
Chemical Physics Letters
Issue Date:
Oct-2009
DOI:
10.1016/j.cplett.2009.09.038
Type:
Article
ISSN:
00092614
Sponsors:
Useful discussions with K. Poeppelmeier and financial support by the Deutsche Forschungsgemeinschaft (SFB 484) are gratefully acknowledged.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSchuster, Cosima B.en
dc.contributor.authorFrésard, Raymonden
dc.date.accessioned2015-08-02T09:11:14Zen
dc.date.available2015-08-02T09:11:14Zen
dc.date.issued2009-10en
dc.identifier.issn00092614en
dc.identifier.doi10.1016/j.cplett.2009.09.038en
dc.identifier.urihttp://hdl.handle.net/10754/561435en
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.en
dc.description.sponsorshipUseful discussions with K. Poeppelmeier and financial support by the Deutsche Forschungsgemeinschaft (SFB 484) are gratefully acknowledged.en
dc.publisherElsevier BVen
dc.titleCorundum-based transparent infrared absorbersen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalChemical Physics Lettersen
dc.contributor.institutionUniversität Augsburg, Institut für Physik, D-86135 Augsburg, Germanyen
dc.contributor.institutionLaboratoire CRISMAT, UMR CNRS, ENSICAEN, Caen, Franceen
kaust.authorSchwingenschlögl, Udoen
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