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

Abstract

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:
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)
OSTI Identifier:
1352593
Grant/Contract Number:
AC02-06CH11357
Resource Type:
Journal Article: 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
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

Citation Formats

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., 2016. 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
}

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  • Here, we assess the mercury chalcohalide compound, β-Hg 3S 2Cl 2, as a potential semiconductor material for X-ray and γ-ray detection. It has a high density (6.80 g/cm 3) and wide band gap (2.56 eV) and crystallizes in the cubic Pm4more » $$\bar{3}$$n space group with a three-dimensional structure comprised of [Hg 12S 8] cubes with Cl atoms located within and between the cubes, featuring a trigonal pyramidal SHg3 as the main building block. First-principle electronic structure calculations at the density functional theory level predict that the compound has closely lying indirect and direct band gaps. We have successfully grown transparent, single crystals of β-Hg 3S 2Cl 2 up to 7 mm diameter and 1 cm long using a new approach by the partial decomposition of the quaternary Hg 3Bi 2S 2Cl 8 compound followed by the formation of β-Hg 3S 2Cl 2 and an impermeable top layer, all happening in situ during vertical Bridgman growth. The decomposition process was optimized by varying peak temperatures and temperature gradients using a 2 mm/h translation rate of the Bridgman technique. Formation of the quaternary Hg 3Bi 2S 2Cl 8 followed by its partial decomposition into β-Hg 3S 2Cl 2 was confirmed by in situ temperature-dependent synchrotron powder diffraction studies. The single crystal samples obtained had resistivity of 10 10 Ω·cm and mobility-lifetime products of electron and hole carriers of 1.4(4) × 10 –4 cm 2/V and 7.5(3) × 10 –5 cm 2/V, respectively. Further, an appreciable Ag X-ray photoconductivity response was observed showing the potential of β-Hg 3S 2Cl 2 as a hard radiation detector material.« less
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  • The proposed luminosity upgrade of the Large Hadron Collider (S-LHC) at CERN represents a technological challenge for the vertex detectors of the SLHC experiments since the innermost layers will receive fast hadron fluences up to 1016 cm-2. The CERN RD50 project has been established to explore detector materials and designs that will allow to operate devices up to this limit. Among the different research lines followed by RD50 we report on the development of sensors produced with substrates like Czochralski and epitaxial silicon and on the investigation of the radiation hardness of p-type silicon detectors. Moreover innovative designs like thin,more » 3D and 3D-STC sensors are under evaluation in the RD50 Collaboration.« less