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Title: Mercury Chalcohalide Semiconductor Hg 3Se 2Br 2 for Hard Radiation Detection

We present Hg 3Se 2Br 2 that has a wide band gap semiconductor (2.22 eV) with high density (7.598 g/cm 3) and crystallizes in the monoclinic space group C2/m with cell parameters of a = 17.496 (4) Å, b = 9.3991 (19) Å, c = 9.776(2) Å, β = 90.46(3)°, V = 1607.6(6) Å 3. It melts congruently at a low temperature, 566°C, which allows for an easy single crystal growth directly from the stoichiometric melt. Single crystals of Hg 3Se 2Br 2 up to 1 cm long have been grown using the Bridgman method. Hg 3Se 2Br 2 single crystals exhibit a strong photocurrent response when exposed to Ag X-ray and blue diode laser. The resistivity of Hg 3Se 2Br 2 measured by the two probe method is on the order of 10 11 Ω·cm, and the mobility-lifetime product (μτ) of the electron and hole carriers estimated from the energy spectroscopy under Ag X-ray radiation are (μτ) e ≈ 1.4 × 10 –4cm 2/V and (μτ) h ≈ 9.2 × 10 –5cm 2/V. Electronic structure calculations at the density functional theory level indicate a direct band gap and a relatively small effective mass for carriers. Lastly, on the basismore » of the photoconductivity and hard X-ray spectrum, Hg 3Se 2Br 2 is a promising candidate for X-ray and γ-ray radiation detection at room temperature.« less
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [1] ;  [4] ;  [2]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Northwestern Univ., Evanston, IL (United States). Department of Chemistry
  3. Northwestern Univ., Evanston, IL (United States). Department of Materials Science and Engineering
  4. Northwestern Univ., Evanston, IL (United States). Department of Materials Science and Engineering and Department of Electrical Engineering and Computer Science
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Crystal Growth and Design
Additional Journal Information:
Journal Volume: 16; Journal Issue: 11; Journal ID: ISSN 1528-7483
Publisher:
American Chemical Society
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE NA Office of Nonproliferation and Verification Research and Development (NA-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; X-ray detector; chalcohalide; crystal growth; mobility-lifetime product; photoconductivity; γ-ray detector
OSTI Identifier:
1352593

Li, Hao, Meng, Fang, Malliakas, Christos D., Liu, Zhifu, Chung, Duck Young, Wessels, Bruce, and Kanatzidis, Mercouri G.. Mercury Chalcohalide Semiconductor Hg3Se2Br2 for Hard Radiation Detection. United States: N. p., Web. doi:10.1021/acs.cgd.6b01118.
Li, Hao, Meng, Fang, Malliakas, Christos D., Liu, Zhifu, Chung, Duck Young, Wessels, Bruce, & Kanatzidis, Mercouri G.. Mercury Chalcohalide Semiconductor Hg3Se2Br2 for Hard Radiation Detection. United States. doi:10.1021/acs.cgd.6b01118.
Li, Hao, Meng, Fang, Malliakas, Christos D., Liu, Zhifu, Chung, Duck Young, Wessels, Bruce, and Kanatzidis, Mercouri G.. 2016. "Mercury Chalcohalide Semiconductor Hg3Se2Br2 for Hard Radiation Detection". United States. doi:10.1021/acs.cgd.6b01118. https://www.osti.gov/servlets/purl/1352593.
@article{osti_1352593,
title = {Mercury Chalcohalide Semiconductor Hg3Se2Br2 for Hard Radiation Detection},
author = {Li, Hao and Meng, Fang and Malliakas, Christos D. and Liu, Zhifu and Chung, Duck Young and Wessels, Bruce and Kanatzidis, Mercouri G.},
abstractNote = {We present Hg3Se2Br2 that has a wide band gap semiconductor (2.22 eV) with high density (7.598 g/cm3) and crystallizes in the monoclinic space group C2/m with cell parameters of a = 17.496 (4) Å, b = 9.3991 (19) Å, c = 9.776(2) Å, β = 90.46(3)°, V = 1607.6(6) Å3. It melts congruently at a low temperature, 566°C, which allows for an easy single crystal growth directly from the stoichiometric melt. Single crystals of Hg3Se2Br2 up to 1 cm long have been grown using the Bridgman method. Hg3Se2Br2 single crystals exhibit a strong photocurrent response when exposed to Ag X-ray and blue diode laser. The resistivity of Hg3Se2Br2 measured by the two probe method is on the order of 1011 Ω·cm, and the mobility-lifetime product (μτ) of the electron and hole carriers estimated from the energy spectroscopy under Ag X-ray radiation are (μτ)e ≈ 1.4 × 10–4cm2/V and (μτ)h ≈ 9.2 × 10–5cm2/V. Electronic structure calculations at the density functional theory level indicate a direct band gap and a relatively small effective mass for carriers. Lastly, on the basis of the photoconductivity and hard X-ray spectrum, Hg3Se2Br2 is a promising candidate for X-ray and γ-ray radiation detection at room temperature.},
doi = {10.1021/acs.cgd.6b01118},
journal = {Crystal Growth and Design},
number = 11,
volume = 16,
place = {United States},
year = {2016},
month = {9}
}