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

Geilhufe, Matthias; Nayak, Sanjeev K.; Thomas, Stefan; Dane, Markus; Tripathi, Gouri S.; Entel, Peter; Hergert, Wolfram; Ernst, Arthur

doi:10.1103/PhysRevB.92.235203

Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb_1-xSn_xTe

Journal Article · Wed Dec 09 00:00:00 EST 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.92.235203· OSTI ID:1260496

Geilhufe, Matthias ^[1]; Nayak, Sanjeev K. ^[2]; Thomas, Stefan ^[1]; Dane, Markus ^[3]; Tripathi, Gouri S. ^[4]; Entel, Peter ^[5]; Hergert, Wolfram ^[2]; Ernst, Arthur ^[1]

Max Planck Institute of Microstructure Physics, Halle (Germany)
Martin Luther Univ. Halle-Wittenberg, Halle (Germany)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Berhampur Univ., Odisha (India)
Univ. of Duisburg-Essen, Duisburg (Germany)

The electronic structure of Pb_1–xSn_xTe is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. For all concentrations x, Pb_1–xSn_xTe 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 Pb_1–xSn_xTe for spintronic applications.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1260496

Alternate ID(s):: OSTI ID: 1228442

Report Number(s):: LLNL-JRNL--695259

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 23 Vol. 92; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Pressure-induced topological phase transitions in rocksalt chalcogenides Barone, Paolo; Rauch, Tomáš; Di Sante, Domenico Physical Review B, Vol. 88, Issue 4 https://doi.org/10.1103/physrevb.88.045207	journal	July 2013
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