Electronic structures of PbWO4 crystals containing F-type colour centres

被引：8

作者：

Yi, ZJ ^{[1
]}

Liu, TY ^{[1
]}

Zhang, QR ^{[1
]}

Sun, YY ^{[1
]}

机构：

[1] Shanghai Univ Sci & Technol, Coll Sci, Shanghai 200093, Peoples R China

来源：

CHINESE PHYSICS LETTERS | 2005年 / 22卷 / 10期

关键词：

D O I：

10.1088/0256-307X/22/10/045

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Electronic structures of PbWO4 Crystals Containing F-type colour centres with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Dirac-Slater theory, using a numerically discrete variational (DV-X alpha) method. The calculated results show that F and F+ centres have donor energy levels in the forbidden bands. Their optical transition energies are 1.84 eV and 2.21 eV, respectively, which correspond to the 680 rim and 550 nm absorption bands. It is predicted that the 680 nm and 550 nm absorption banas originate from the F and F+ centres in PbWO4 crystals.

引用

页码：2618 / 2621

页数：4

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