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Title: Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb1-xSnxTe

The electronic structure of Pb1–xSnxTe is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. For all concentrations x, Pb1–xSnxTe is a direct semiconductor with a narrow band gap. In contrast to pure lead telluride, tin telluride shows an inverted band characteristic close to the Fermi energy. It will be shown that this particular property can be tuned, first, by alloying PbTe and SnTe and, second, by applying hydrostatic pressure or uniaxial strain. Furthermore, the magnitude of strain needed to switch between the regular and inverted band gap can be tuned by the alloy composition. In conclusion, there is a range of potential usage of Pb1–xSnxTe for spintronic applications.
Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [5] ;  [2] ;  [1]
  1. Max Planck Institute of Microstructure Physics, Halle (Germany)
  2. Martin Luther Univ. Halle-Wittenberg, Halle (Germany)
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  4. Berhampur Univ., Odisha (India)
  5. Univ. of Duisburg-Essen, Duisburg (Germany)
Publication Date:
OSTI Identifier:
1260496
Report Number(s):
LLNL-JRNL--695259
Journal ID: ISSN 1098-0121; PRBMDO
Grant/Contract Number:
AC52-07NA27344
Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 92; Journal Issue: 23; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Research Org:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY