Theoretical study on defects in PbWO4:Y crystal | Zendy

Liu Feng-Song | Zendy; Mu Gu | Zendy; Mingzhen Yao | Zendy; Ling Liang | Zendy; Chen Ming-nan | Zendy

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Theoretical study on defects in PbWO4:Y crystal

Author(s) -

Liu Feng-Song,

Mu Gu,

Mingzhen Yao,

Ling Liang,

Chen Ming-nan

Publication year - 2003

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.52.2274

Subject(s) - dopant , crystal (programming language) , ion , materials science , cluster (spacecraft) , crystallography , crystal structure , state (computer science) , physics , atomic physics , condensed matter physics , doping , optoelectronics , chemistry , computer science , quantum mechanics , programming language , algorithm

The electronic structures and binding energy of the defects related to Y3+ dopants in PbWO4 crystals have been investigated by the relativi stic self-consistent discrete variational embedded cluster method.The results show that 2(Y3+Pb)-VPb” is more stable than the other Y3+ r elated defects.Using the transition state method,we find that the transition ene rgy of O2p→Y5d is about 3.9eV.This signifies that Y3+ ions will not res ult in the absorptions at 350nm and 420nm in the PbWO4 crystal.Moreov er,the ef fect on electronic structure in PbWO4 caused by Y dopants is differen t from that caused by La dopants.

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