TY - JOUR
T1 - Formation of native defects in the γ-ray detector material Cs 2 Hg6S7
AU - Im, Jino
AU - Jin, Hosub
AU - Li, Hao
AU - Peters, John A.
AU - Liu, Zhifu
AU - Wessels, Bruce W.
AU - Kanatzidis, Mercouri G.
AU - Freeman, Arthur J.
PY - 2012/11/12
Y1 - 2012/11/12
N2 - Semiconductor γ-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 Cs 2 Hg6 S7 that has been suggested as a promising candidate for detector materials. Using first-principles calculations, we showed that S-vacancy and Hg Cs-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.
AB - Semiconductor γ-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 Cs 2 Hg6 S7 that has been suggested as a promising candidate for detector materials. Using first-principles calculations, we showed that S-vacancy and Hg Cs-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.
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U2 - 10.1063/1.4767368
DO - 10.1063/1.4767368
M3 - Article
AN - SCOPUS:84870015405
VL - 101
JO - Applied Physics Letters
JF - Applied Physics Letters
SN - 0003-6951
IS - 20
M1 - 202103
ER -