Engineering oxygen vacancies towards self-activated BaLuAlxZn4−xO7−(1−x)/2photoluminescent materials: an experimental and theoretical analysis | Zendy

Lan Ma | Zendy; Zhiguo Xia | Zendy; Victor V. Atuchin∥⊥ | Zendy; Maxim S. Мolokeev | Zendy; S. Auluck | Zendy; A.H. Reshak | Zendy; Quanlin Liu | Zendy

Open Access

Engineering oxygen vacancies towards self-activated BaLuAl_xZn_4−xO_{7−(1−x)/2}photoluminescent materials: an experimental and theoretical analysis

Author(s) -

Lan Ma,

Zhiguo Xia,

Victor V. Atuchin∥⊥,

Maxim S. Мolokeev,

S. Auluck,

A.H. Reshak,

Quanlin Liu

Publication year - 2015

Publication title -

physical chemistry chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.053

H-Index - 239

eISSN - 1463-9084

pISSN - 1463-9076

DOI - 10.1039/c5cp05130d

Subject(s) - phosphor , photoluminescence , materials science , x ray crystallography , crystallography , oxygen , analytical chemistry (journal) , chemistry , diffraction , physics , optoelectronics , optics , organic chemistry , chromatography

Novel self-activated yellow-emitting BaLuAlxZn4-xO7-(1-x)/2 photoluminescent materials were investigated by a combined experimental and theoretical analysis. The effects of Al/Zn composition modulation, calcination atmosphere and temperature on the crystal structure and photoluminescence properties have been studied via engineering oxygen vacancies. Accordingly, BaLuAl0.91Zn3.09O7 prepared in an air atmosphere was found to be the stable crystalline phase with optimal oxygen content and gave a broad yellow emission band with a maximum at 528 nm. The self-activated luminescence mechanism is ascribed to the O-vacancies based on the density functional theory (DFT) calculation. A theoretical model originating from the designed oxygen vacancies has been proposed in order to determine the influence of O-vacancies on the band structure and self-activated luminescence. Therefore, the appearance of a new local energy level in the band gap will cause the wide-band optical transitions in the studied BaLuAlxZn4-xO7-(1-x)/2 materials.

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