Title of article
Computer simulation of Nb-doping PBWO4 crystal
Author/Authors
Chen، نويسنده , , Teng and Liu، نويسنده , , Tingyu and Zhang، نويسنده , , Qiren and Lii، نويسنده , , Fangfei and Tian، نويسنده , , Dongsheng and Zhang، نويسنده , , Xiuyan، نويسنده ,
Pages
5
From page
390
To page
394
Abstract
The existing forms of the impurity Nb5+ ions in the Nb:PWO crystals are simulated by the computer simulation technology. The various kinds of defects and substitution reactions in the Nb:PWO crystals are also simulated. By analyzing the calculated results of defect formation energies and solution energies, the optimal positions of the Nb5+ ions and the charge compensating mechanism [NbO3+VO]+–[NbO4]− in the Nb:PWO crystals are obtained; this charge compensating mechanism change the compensating form of oxygen vacancies which relates to 350 nm absorption band, then the 350 nm absorption band is depressed.
Keywords
Charge-compensating mechanism , GULP , Computer simulation , Doping , PbWO4
Journal title
Astroparticle Physics
Record number
2028673
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