Cu2I2Se6: A Metal-Inorganic Framework Wide-Bandgap Semiconductor for Photon Detection at Room Temperature

Wenwen Lin; Constantinos C. Stoumpos; Oleg Y. Kontsevoi; Zhifu Liu; Yihui He; Sanjib Das; Yadong Xu; Kyle M. McCall; Bruce W. Wessels; Mercouri G. Kanatzidis

doi:10.1021/jacs.7b12549

Cu₂I₂Se₆: A Metal-Inorganic Framework Wide-Bandgap Semiconductor for Photon Detection at Room Temperature

Wenwen Lin, Constantinos C. Stoumpos, Oleg Y. Kontsevoi, Zhifu Liu, Yihui He, Sanjib Das, Yadong Xu, Kyle M. McCall, Bruce W. Wessels, Mercouri G. Kanatzidis^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

Cu₂I₂Se₆ is a new wide-bandgap semiconductor with high stability and great potential toward hard radiation and photon detection. Cu₂I₂Se₆ crystallizes in the rhombohedral R3?m space group with a density of d = 5.287 g·cm^-3 and a wide bandgap E_g of 1.95 eV. First-principles electronic band structure calculations at the density functional theory level indicate an indirect bandgap and a low electron effective mass m_e∗ of 0.32. The congruently melting compound was grown in centimeter-size Cu₂I₂Se₆ single crystals using a vertical Bridgman method. A high electric resistivity of ?10¹² ?·cm is readily achieved, and detectors made of Cu₂I₂Se₆ single crystals demonstrate high photosensitivity to Ag Kα X-rays (22.4 keV) and show spectroscopic performance with energy resolutions under ²⁴¹Am α-particles (5.5 MeV) radiation. The electron mobility is measured by a time-of-flight technique to be ?46 cm²·V^-1·s^-1. This value is comparable to that of one of the leading ?-ray detector materials, TlBr, and is a factor of 30 higher than mobility values obtained for amorphous Se for X-ray detection.

Original language	English (US)
Pages (from-to)	1894-1899
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	140
Issue number	5
DOIs	https://doi.org/10.1021/jacs.7b12549
State	Published - Feb 7 2018

Funding

This work is supported by DHS-ARI grant 2014-DN-077-ARI086-01. This work made use of the EPIC facility of the NUANCE Center and IMSERC at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205). Computing resources were provided by the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

Access to Document

10.1021/jacs.7b12549

Cite this

@article{f97f25a4cd0d4819aadcc8e788df2c8b,

title = "Cu2I2Se6: A Metal-Inorganic Framework Wide-Bandgap Semiconductor for Photon Detection at Room Temperature",

abstract = "Cu2I2Se6 is a new wide-bandgap semiconductor with high stability and great potential toward hard radiation and photon detection. Cu2I2Se6 crystallizes in the rhombohedral R3?m space group with a density of d = 5.287 g·cm-3 and a wide bandgap Eg of 1.95 eV. First-principles electronic band structure calculations at the density functional theory level indicate an indirect bandgap and a low electron effective mass me∗ of 0.32. The congruently melting compound was grown in centimeter-size Cu2I2Se6 single crystals using a vertical Bridgman method. A high electric resistivity of ?1012 ?·cm is readily achieved, and detectors made of Cu2I2Se6 single crystals demonstrate high photosensitivity to Ag Kα X-rays (22.4 keV) and show spectroscopic performance with energy resolutions under 241Am α-particles (5.5 MeV) radiation. The electron mobility is measured by a time-of-flight technique to be ?46 cm2·V-1·s-1. This value is comparable to that of one of the leading ?-ray detector materials, TlBr, and is a factor of 30 higher than mobility values obtained for amorphous Se for X-ray detection.",

author = "Wenwen Lin and Stoumpos, {Constantinos C.} and Kontsevoi, {Oleg Y.} and Zhifu Liu and Yihui He and Sanjib Das and Yadong Xu and McCall, {Kyle M.} and Wessels, {Bruce W.} and Kanatzidis, {Mercouri G.}",

note = "Funding Information: This work is supported by DHS-ARI grant 2014-DN-077-ARI086-01. This work made use of the EPIC facility of the NUANCE Center and IMSERC at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205). Computing resources were provided by the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",

year = "2018",

month = feb,

day = "7",

doi = "10.1021/jacs.7b12549",

language = "English (US)",

volume = "140",

pages = "1894--1899",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

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TY - JOUR

T1 - Cu2I2Se6

T2 - A Metal-Inorganic Framework Wide-Bandgap Semiconductor for Photon Detection at Room Temperature

AU - Lin, Wenwen

AU - Stoumpos, Constantinos C.

AU - Kontsevoi, Oleg Y.

AU - Liu, Zhifu

AU - He, Yihui

AU - Das, Sanjib

AU - Xu, Yadong

AU - McCall, Kyle M.

AU - Wessels, Bruce W.

AU - Kanatzidis, Mercouri G.

N1 - Funding Information: This work is supported by DHS-ARI grant 2014-DN-077-ARI086-01. This work made use of the EPIC facility of the NUANCE Center and IMSERC at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205). Computing resources were provided by the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Publisher Copyright: © 2018 American Chemical Society.

PY - 2018/2/7

Y1 - 2018/2/7

N2 - Cu2I2Se6 is a new wide-bandgap semiconductor with high stability and great potential toward hard radiation and photon detection. Cu2I2Se6 crystallizes in the rhombohedral R3?m space group with a density of d = 5.287 g·cm-3 and a wide bandgap Eg of 1.95 eV. First-principles electronic band structure calculations at the density functional theory level indicate an indirect bandgap and a low electron effective mass me∗ of 0.32. The congruently melting compound was grown in centimeter-size Cu2I2Se6 single crystals using a vertical Bridgman method. A high electric resistivity of ?1012 ?·cm is readily achieved, and detectors made of Cu2I2Se6 single crystals demonstrate high photosensitivity to Ag Kα X-rays (22.4 keV) and show spectroscopic performance with energy resolutions under 241Am α-particles (5.5 MeV) radiation. The electron mobility is measured by a time-of-flight technique to be ?46 cm2·V-1·s-1. This value is comparable to that of one of the leading ?-ray detector materials, TlBr, and is a factor of 30 higher than mobility values obtained for amorphous Se for X-ray detection.

AB - Cu2I2Se6 is a new wide-bandgap semiconductor with high stability and great potential toward hard radiation and photon detection. Cu2I2Se6 crystallizes in the rhombohedral R3?m space group with a density of d = 5.287 g·cm-3 and a wide bandgap Eg of 1.95 eV. First-principles electronic band structure calculations at the density functional theory level indicate an indirect bandgap and a low electron effective mass me∗ of 0.32. The congruently melting compound was grown in centimeter-size Cu2I2Se6 single crystals using a vertical Bridgman method. A high electric resistivity of ?1012 ?·cm is readily achieved, and detectors made of Cu2I2Se6 single crystals demonstrate high photosensitivity to Ag Kα X-rays (22.4 keV) and show spectroscopic performance with energy resolutions under 241Am α-particles (5.5 MeV) radiation. The electron mobility is measured by a time-of-flight technique to be ?46 cm2·V-1·s-1. This value is comparable to that of one of the leading ?-ray detector materials, TlBr, and is a factor of 30 higher than mobility values obtained for amorphous Se for X-ray detection.

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