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 journalArticlepeer-review

12 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)1894-1899
Number of pages6
JournalJournal of the American Chemical Society
Issue number5
StatePublished - Feb 7 2018

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry


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