TY - JOUR
T1 - Corundum-based transparent infrared absorbers
AU - Schwingenschlögl, Udo
AU - Schuster, Cosima B.
AU - Frésard, Raymond
N1 - 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.
PY - 2009/10
Y1 - 2009/10
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/561435
UR - https://linkinghub.elsevier.com/retrieve/pii/S0009261409011427
UR - http://www.scopus.com/inward/record.url?scp=72149088254&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2009.09.038
DO - 10.1016/j.cplett.2009.09.038
M3 - Article
SN - 0009-2614
VL - 481
SP - 62
EP - 67
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -