First-principles study on site preference and 4f → 5d transitions of Ce(3+) in Sr3AlO4F

The local structures and 4f → 5d transition energies of Ce(3+) located on the two crystallographic strontium sites of Sr3AlO4F, with charge compensation by means of nearby sodium substitutions for strontium (NaSr') or oxygen substitutions for coordinating fluorine (OF'), have been studied...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2014-02, Vol.118 (6), p.986-992
Hauptverfasser:	Ning, Lixin, Wang, Yongfeng, Wang, Zongcui, Jin, Wei, Huang, Shizhong, Duan, Changkui, Zhang, Yongfan, Chen, Wanping, Liang, Hongbin
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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