Preparation, structures, and band gaps of RbInS2 and RbInSe 2

Fu Qiang Huang, Bin Deng, Donald E. Ellis, James A. Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticle

23 Scopus citations

Abstract

The two compounds RbInS2 and RbInSe2 have been synthesized at 773 K by means of the reactive flux method. These isostructural compounds crystallize in space group C2/c of the monoclinic system with 16 formula units in a cell at 153 K of dimensions a=11.0653(7)Å, b=11.0643(7)Å, c=15.5796(9)Å, and β=100.244(1)° for RbInS2, and a=11.477(3)Å, b=11.471(3)Å, c=16.186(6)Å, and β=100.16(2)° for RbInSe2. The In atoms are four-coordinated. The structure consists of two-dimensional ∞2[InQ2-] (Q=S, Se) layers perpendicular to [001] separated from the Rb+ cations. Adamantane-like In4Q10 units are connected by common corners to form the layers. Band structure calculations indicate that these compounds are direct band-gap semiconductors with the smallest band gap at the Γ point. The calculated band gaps are 2.8 eV for RbInS2 and 2.0 eV for RbInSe2, values that are consistent with the colors of the compounds.

Original languageEnglish (US)
Pages (from-to)2128-2132
Number of pages5
JournalJournal of Solid State Chemistry
Volume178
Issue number6
DOIs
StatePublished - Jun 1 2005

Keywords

  • Band gaps
  • Chalcogenide
  • Crystal structure
  • Indium
  • Synthesis

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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