TlHgInS3: An Indirect-Band-Gap Semiconductor with X-ray Photoconductivity Response

Hao Li, Christos D. Malliakas, Fei Han, Duck Young Chung, Mercouri G. Kanatzidis

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The quaternary compound TlHgInS3 crystallizes in a new structure type of space group, C2/c, with cell parameters a = 13.916(3) Å, b = 3.9132(8) Å, c = 21.403(4) Å, β = 104.16(3)°, V = 1130.1(8) Å3, and ρ = 7.241 g/cm3. The structure is a unique three-dimensional framework with parallel tunnels, which is formed by 1[InS33-] infinite chains bridged by linearly coordinated Hg2+ ions. TlHgInS3 is a semiconductor with a band gap of 1.74 eV and a resistivity of ∼4.32 GΩ cm. TlHgInS3 single crystals exhibit photocurrent response when exposed to Ag X-rays. The mobility-lifetime product (μτ) of the electrons and holes estimated from the photocurrent measurements are (μτ)e ≈ 3.6 × 10-4 cm2/V and (μτ)h ≈ 2.0 × 10-4 cm2/V. Electronic structure calculations at the density functional theory level indicate an indirect band gap and a relatively small effective mass for both electrons and holes. Based on the photoconductivity data, TlHgInS3 is a potential material for radiation detection applications. (Graph Presented).

Original languageEnglish
Pages (from-to)5417-5424
Number of pages8
JournalChemistry of Materials
Volume27
Issue number15
DOIs
Publication statusPublished - Aug 11 2015

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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