La1-xBi1+xS3 (x ≈ 0.08): An n-Type Semiconductor

Fei Han, Huimei Liu, Christos D. Malliakas, Mihai Sturza, Duck Young Chung, Xiangang Wan, Mercouri G Kanatzidis

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Abstract

The new bismuth chalcogenide La0.92Bi1.08S3 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 La0.92Bi1.08S3 is built of NaCl-type Bi2S5 blocks and BiS4 and LaS5 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 La0.92Bi1.08S3 are electrons. Heat capacity measurements indicate no phase transitions from 2 to 300 K. Band structure calculations at the density functional theory level confirm the semiconducting nature and the indirect gap of La0.92Bi1.08S3.

Original languageEnglish
Pages (from-to)3547-3552
Number of pages6
JournalInorganic Chemistry
Volume55
Issue number7
DOIs
Publication statusPublished - Apr 18 2016

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ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Han, F., Liu, H., Malliakas, C. D., Sturza, M., Chung, D. Y., Wan, X., & Kanatzidis, M. G. (2016). La1-xBi1+xS3 (x ≈ 0.08): An n-Type Semiconductor. Inorganic Chemistry, 55(7), 3547-3552. https://doi.org/10.1021/acs.inorgchem.6b00025