CsHgInS3: A new quaternary semiconductor for γray detection

Hao Li, Christos D. Malliakas, Zhifu Liu, John A. Peters, Hosub Jin, Collin D. Morris, Lidong Zhao, Bruce W. Wessels, Arthur J. Freeman, Mercouri G. Kanatzidis*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

52 Scopus citations


The new layered compound CsHgInS3 was synthesized using solid state and flux synthesis techniques. The compound is a semiconductor and shows promising properties for X-ray and γray detection. It features a layered structure that crystallizes in the monoclinic space group C2/c with cell parameters: a = 11.2499(7) Å, b = 11.2565(6) Å, c = 22.146(1) Å, β = 97.30(5)°, V = 2781.8(4) Å3, and Z = 8. CsHgInS3 is isostructural to Rb2Cu2Sn 2S6, where the Hg, In, and Cs atoms occupy the Cu, Sn, and Rb sites, respectively. Large single crystals with dimension up to 5 mm were grown with a vertical Bridgman method as well as a horizontal traveling heater method. CsHgInS3 has a γray attenuation length comparable to commercial Cd1-xZnxTe and a band gap value of 2.30 eV. The electrical resistivity of CsHgInS3 is anisotropic with values of 98 Gω cm and 0.33 Gω cm perpendicular and parallel to the (001) plane, respectively. The mobility-lifetime product (μτ) of electrons and holes estimated from photoconductivity measurements on the as-grown crystals were (μτ)e = 3.6 × 10-5 cm2 V -1 and (μτ)h = 2.9 × 10-5 cm 2 V-1, respectively. Electronic structure calculations at the Density Functional Theory level were performed based on the refined crystal structure of CsHgInS3 and show a direct gap with the conduction band near the Fermi level being highly dispersive, suggesting a relatively small carrier effective mass for electrons.

Original languageEnglish (US)
Pages (from-to)4434-4441
Number of pages8
JournalChemistry of Materials
Issue number22
StatePublished - Nov 27 2012


  • X-ray detection
  • chalcogenide
  • crystal growth
  • semiconductors

ASJC Scopus subject areas

  • General Chemistry
  • General Chemical Engineering
  • Materials Chemistry


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