Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb_{1 x}Sn_{x}Te
Abstract
The electronic structure of Pb_{1 x}Sn_{x}Te is studied by using the relativistic KorringaKohnRostoker Green function method in the framework of density functional theory. For all concentrations x , Pb_{1 x}Sn_{x}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 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. Thus there is a range of potential usage of Pb_{1 x}Sn_{x}Te for spintronic applications.
 Publication:

Physical Review B
 Pub Date:
 December 2015
 DOI:
 10.1103/PhysRevB.92.235203
 arXiv:
 arXiv:1508.04113
 Bibcode:
 2015PhRvB..92w5203G
 Keywords:

 71.15.Mb;
 71.28.+d;
 71.20.b;
 81.30.Bx;
 Density functional theory local density approximation gradient and other corrections;
 Narrowband systems;
 intermediatevalence solids;
 Electron density of states and band structure of crystalline solids;
 Phase diagrams of metals and alloys;
 Physics  Computational Physics;
 Condensed Matter  Materials Science
 EPrint:
 Phys. Rev. B 92, 235203 (2015)