Microscopic understanding of lithium defect on lanthanide luminescence in NaYF4 lattices from first principles

Lithium doping has been widely employed to modulate the photoluminescence of lanthanide-doped crystals. Despite its effectiveness, the underlying mechanism remains debatable. Using cubic sodium yttrium fluoride as a model crystal, first-principles calculations indicate that neutral substitution of h...

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Bibliografische Detailangaben

Hauptverfasser:	Xian Qin, Xiaogang Liu
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Elsevier 2023-02-01
Schriftenreihe:	Optical Materials: X
Schlagworte:	Lithium doping Lanthanide luminescence Isovalent substitution Interstitial defect DFT Lithium–oxygen cluster
Online-Zugang:	http://www.sciencedirect.com/science/article/pii/S2590147822000778
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