Luminescence of Mn in CaZnOS : from energy levels to applications

Content Provider	Semantic Scholar
Author	Joos, Jonas J. Feng, Ang Lejaeghere, Kurt Hemelsoet, Karen Smet, Philippe
Copyright Year	2016
Abstract	SUBMISSION FORM Please submit your abstract online before January, 30th NB: The subject of the message should begin with “Abstract, followed by the surname of the presenter”. Please rename this file into: Name of the presenting author.doc. If there is more than one abstract from the same author, the name of the author should be followed by a corresponding number (maximum 2). I prefer ☐poster presentation ☒oral communication Luminescence of Mn in CaZnOS: from energy levels to applications Jonas J. Joos 1 , Ang Feng 1 , Kurt Lejaeghere 2 , Karen Hemelsoet 2 , Philippe F. Smet 1 1 LumiLab, Department of Solid State Sciences, Ghent University, Krijgslaan 281/S1, 9000 Gent, Belgium 2 Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium Manganese is a well-known optical dopant. It can adapt different charge states of which the divalent, Mn 2+ , featuring a 3d 5 electron configuration, and the tetravalent, Mn 4+ , featuring a 3d 3 electron configuration are most abundant. Both charge-states of the Mn defect show efficient luminescence, originating from intraconfigurational 3d transitions, having the emission in the visible spectral range. Excitation of the luminescence can be achieved by directly exciting the 3d N manifold or through a charge-transfer transition. This study concentrates on the oxysulfide CaZnOS [1]. This polar compound is built of alternating monolayers of ZnS and CaO, and forms a peculiar host for Mn 2+ . It has been proposed as LED phosphor as well as mechanoluminescent pressure gauge [2, 3]. This material was synthesized by a solid-state reaction and the luminescent properties were characterized in detail by a combination of various experimental techniques. To get a thorough understanding of the properties this phosphor, the electronic structure of the doped and undoped compound is assessed in detail. First principles calculations within the framework of density functional theory (DFT) are combined with semi-empirical crystal field theoretical (CFT) calculations to obtain the multiplet structure of the 3d 5 manifold as well as the location of the impurity levels in the single-particle energy gap of the CaZnOS host. [1] T. Sambrook et al., Inorg. Chem. (2007), 46, 2571-2574. [2] C. J. Duan, A. C. A. Delsing, H. T. Hintzen, Chem. Mater. (2009), 21, 1010-1016. [3] J.-C. Zhang et al., Opt. Express (2013), 21, 12976-12986.
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Alternate Webpage(s)	https://biblio.ugent.be/publication/8505892/file/8505897.pdf
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article