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Title: Crystal structure and elementary electronic properties of Bi-stabilized α-In{sub 2}Se{sub 3}

Highlights: • The introduction of Bi stabilizes α-In{sub 2}Se{sub 3} and facilitates the crystal growth. • Optical measurements show an indirect band gap. • Transport measurements show semiconducting temperature dependence. - Abstract: The introduction of Bi as a substitution for In at ∼12% in In{sub 2}Se{sub 3} stabilizes the α-polymorph and facilitates the crystal growth by the modified Bridgeman method. The crystal structure (R−3m, Z = 3, a = 3.9978(8) Å, c = 28.276(6) Å) and composition, (In{sub 0.88}Bi{sub 0.12}){sub 2}Se{sub 3}, of the crystals were determined by single crystal X-ray diffraction. The structure, of the tetradymite type, displays positional disorder within the middle Se layer. Optical measurements indicate that (In{sub 0.88}Bi{sub 0.12}){sub 2}Se{sub 3} has an indirect band gap of about 1.19 eV, shown by electronic structure calculations to be from valence band states near the Γ point to conduction band states at the L point. Resistivity and Hall effect measurements on Sn-doped crystals of composition (In{sub 0.88}Bi{sub 0.115}Sn{sub 0.005}){sub 2}Se{sub 3} show it to have a relatively high semiconducting resistivity, about 6 × 10{sup 4} Ω cm at 300 K, with an n-type carrier concentration varying from 10{sup 12}/cm{sup 3} at 300 K to 10{sup 15}/cm{sup 3} atmore » 400 K.« less
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [2] ;  [4] ;  [3] ;  [1]
  1. Department of Chemistry, Princeton University, Princeton, NJ 08540 (United States)
  2. Department of Physics and Institute for Optical Sciences, University of Toronto, Toronto, Ontario M5S 1A7 (Canada)
  3. Department of Physics, Princeton University, Princeton, NJ 08540 (United States)
  4. (Canada)
Publication Date:
OSTI Identifier:
22290461
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Research Bulletin; Journal Volume: 48; Journal Issue: 7; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CONCENTRATION RATIO; CRYSTAL GROWTH; CRYSTAL STRUCTURE; DOPED MATERIALS; ELECTRICAL PROPERTIES; HALL EFFECT; INDIUM SELENIDES; MONOCRYSTALS; OPTICAL PROPERTIES; X-RAY DIFFRACTION