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 ,
Issue Information
روزنامه با شماره پیاپی سال 2007
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
Doping , PbWO4 , Charge-compensating mechanism , Computer simulation , GULP
Journal title
Nuclear Instruments and Methods in Physics Research Section A
Serial Year
2007
Journal title
Nuclear Instruments and Methods in Physics Research Section A
Record number
2205977
Link To Document