Open AccessFormation of native defects in the γ-ray detector material Cs2Hg6S7
Author(s) -
Jino Im,
Hosub Jin,
Hao Li,
John A. Peters,
Zhifu Liu,
Bruce W. Wessels,
Mercouri G. Kanatzidis,
A. J. Freeman
Publication year - 2012
Publication title -
applied physics letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.182
H-Index - 442
eISSN - 1077-3118
pISSN - 0003-6951
DOI - 10.1063/1.4767368
Subject(s) - vacancy defect , limiting , detector , acceptor , electrical resistivity and conductivity , materials science , semiconductor , optoelectronics , chemistry , condensed matter physics , crystallography , physics , optics , mechanical engineering , quantum mechanics , engineering
Semiconductorγ-ray detectors have broad applications, yet finding superior detector materials is a challenge because of its contradictory requirements. Here, we investigated a large set of native defects in Cs2Hg6S7 that has been suggested as a promising candidate for detector materials. Using first-principles calculations, we showed that S-vacancy and HgCs-antisite defect provide life-time limiting deep levels, and Cs-vacancy forms a shallow acceptor level, resulting in low resistivity. To decrease such detrimental effects, concentrations of defects and carriers were examined in various chemical environments, which reveal that carrier densities can be extremely reduced by adjusting Cs partial pressure.open5
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