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Title: La 1–xBi 1+xS 3 ( x ≈ 0.08): An n-Type Semiconductor

We study the new bismuth chalcogenide La 0.92Bi 1.08S 3 which crystallizes in the monoclinic space group C2/m with a = 28.0447(19) Å, b = 4.0722(2) Å, c = 14.7350(9) Å, and β = 118.493(5)°. The structure of La 0.92Bi 1.08S 3 is built of NaCl-type Bi 2S 5 blocks and BiS 4 and LaS 5 infinitely long chains, forming a compact three-dimensional framework with parallel tunnels. Optical spectroscopy and resistivity measurements reveal a semiconducting behavior with a band gap of ~1 eV and activation energy for transport of 0.36(1) eV. Thermopower measurements suggest the majority carriers of La 0.92Bi 1.08S 3 are electrons. Heat capacity measurements indicate no phase transitions from 2 to 300 K. Lastly, band structure calculations at the density functional theory level confirm the semiconducting nature and the indirect gap of La 0.92Bi 1.08S 3.
Authors:
 [1] ;  [2] ;  [3] ;  [1] ;  [1] ;  [2] ;  [3]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
  2. Nanjing Univ. (China). National Laboratory of Solid State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division; Northwestern Univ., Evanston, IL (United States). Department of Chemistry
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 55; Journal Issue: 7; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Natural National Science Foundation of China (NSFC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1352577