Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb 1 − x Sn x Te

  title={Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb 1 − x Sn x Te},
  author={Matthias Geilhufe and Sanjeev K. Nayak and Stefan Thomas and Markus Dane and Gouri S. Tripathi and Peter Entel and Wolfram Hergert and Arthur Ernst},
  journal={Physical Review B},
The electronic structure of ${\mathrm{Pb}}_{1\ensuremath{-}x}{\mathrm{Sn}}_{x}\mathrm{Te}$ is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. For all concentrations $x, {\mathrm{Pb}}_{1\ensuremath{-}x}{\mathrm{Sn}}_{x}\mathrm{Te}$ 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… 
13 Citations

Figures and Tables from this paper

Band structure and topological phases of Pb1−x−ySnxMnyTe by ab initio calculations

A change in the composition of the ${\mathrm{Pb}}_{1\ensuremath{-}x}{\mathrm{Sn}}_{x}\mathrm{Te}$ IV--VI semiconductor or in its lattice parameter can drive a transition from a topologically trivial

First-principles modeling of binary layered topological insulators: Structural optimization and exchange-correlation functionals

Topological insulators (TIs) are materials that are insulating in the bulk but have zero band-gap surface states with linear dispersion and are protected by time-reversal symmetry. These unique

Structural, Electronic and Thermoelectric Properties of Pb1−xSnxTe Alloys

The structural, electronic and thermoelectric properties of Pb1−xSnxTe (x = 0, 0.25, 0.5, 0.75, 1) alloys are investigated using density functional theory and the semi-classical Boltzmann transport

Magnetic structure, mechanical stability and thermoelectric properties of VTiRhZ (Z = Si, Ge, Sn) quaternary Heusler alloys: first-principles calculations

The magnetic structure, mechanical stability, and thermoelectric properties of quaternary VTiRhZ (Z = Si, Ge, Sn) Heusler alloys are investigated based on density functional theory (DFT). The

Strain-induced surface modalities in pnictogen chalcogenide topological insulators

We study the role of equi-biaxial strains on the electronic structure in pnictogen chalcogenides Bi2Se3, Bi2Te3, and As2Te3. Bi2Se3 and Bi2Te3 are topological insulators, and As2Te3 is an insulator

Band gap engineering and k ⃗ ⋅ π ⃗ electronic structure of lead and tin tellurides

We study the effect of the variation of energy gap on the k ⃗ ⋅ π ⃗ electronic structure of PbTe and SnTe, using a six-level basis at the L point. The basis functions in both the systems have the

Mathematica 10

  • 2014

Multiple-scattering theory: new developments and applications, Habilitation thesis

  • 2007