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Proceedings Paper

First principle studies on the optical properties of PbWO4 crystal with oxygen vacancy VO2+
Author(s): Tingyu Liu; Jianqi Shen; Lanfang Yao; Qiren Zhang; Songlin Zhuang
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Paper 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.

Paper Details

Date Published: 24 January 2006
PDF: 6 pages
Proc. SPIE 6029, ICO20: Materials and Nanostructures, 60291F (24 January 2006); doi: 10.1117/12.667758
Show Author Affiliations
Tingyu Liu, Univ. of Shanghai for Science and Technology (China)
Jianqi Shen, Univ. of Shanghai for Science and Technology (China)
Lanfang Yao, Univ. of Shanghai for Science and Technology (China)
Qiren Zhang, Univ. of Shanghai for Science and Technology (China)
Songlin Zhuang, Univ. of Shanghai for Science and Technology (China)


Published in SPIE Proceedings Vol. 6029:
ICO20: Materials and Nanostructures
Wei Lu; Jeff Young, Editor(s)

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