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24 January 2006 First principle studies on the optical properties of PbWO4 crystal with oxygen vacancy VO2+
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Proceedings Volume 6029, ICO20: Materials and Nanostructures; 60291F (2006) https://doi.org/10.1117/12.667758
Event: ICO20:Optical Devices and Instruments, 2005, Changchun, China
Abstract
The electronic structures, dielectric function, complex refractive indices and absorption spectra of the perfect PbWO4 crystal and the crystal containing oxygen vacancy VO2+ have been calculated using full-potential (linearized) augmented plane-wave (LAPW) + local orbitals (lo) method with the lattice structure optimized. The results indicate that the perfect PWO crystal does not occur absorption band in the visible and near-ultraviolet region. However, the calculated absorption spectrum of the PWO crystal containing VO2+ has two bands peaking at 370nm and 420nm in the visible and near-ultraviolet region respectively. It reveals that the 350nm and 420nm absorption bands are related to the existence of VO2+ in the PWO crystal.
© (2006) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Tingyu Liu, Jianqi Shen, Lanfang Yao, Qiren Zhang, and Songlin Zhuang "First principle studies on the optical properties of PbWO4 crystal with oxygen vacancy VO2+", Proc. SPIE 6029, ICO20: Materials and Nanostructures, 60291F (24 January 2006); https://doi.org/10.1117/12.667758
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