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Title: Magnetism, half-metallicity and electrical transport properties of V- and Cr-doped semiconductor SnTe: A theoretical study

This work presents results for the electronic structure, magnetic properties, and electrical resistivity of the semiconductor SnTe doped with 3d transition metals V and Cr. From the standpoint of potential application in spintronics, we look for half-metallic states and analyze their properties in both rock salt and zinc blende structures using ab initio electronic structure methods. In both cases, it is the Sn-sublattice that is doped with the transition metals, as has been the case with experiments performed so far. We find four half-metallic compounds at their optimized cell volumes. Results of exchange interactions and the Curie temperature are presented and analyzed for all the relevant cases. Resistivity calculation based on Kubo-Greenwood formalism shows that the resistivities of these alloys due to transition metal doping of the Sn-sublattice may vary, in most cases, from typical liquid metal or metallic glass value to 2–3 times higher. 25% V-doping of the Sn-sublattice in the rock salt structure gives a very high resistivity, which can be traced to high values of the lattice parameter resulting in drastically reduced hopping or diffusivity of the states at the Fermi level.
Authors:
 [1] ;  [2] ;  [3]
  1. State Key laboratory of Metastable Materials Science and Technology and College of Science, Yanshan University, Qinhuangdao, Hebei 066004 (China)
  2. Physics Department, Brock University, St. Catharines, Ontario L2S 3A1 (Canada)
  3. Institute of Physics, Academy of the Sciences of the Czech Republic, Na Slovance 2, 182 21 Prague 8 (Czech Republic)
Publication Date:
OSTI Identifier:
22258703
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 114; Journal Issue: 21; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CURIE POINT; DOPED MATERIALS; ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; EXCHANGE INTERACTIONS; FERMI LEVEL; LATTICE PARAMETERS; LIQUID METALS; MAGNETIC PROPERTIES; MAGNETISM; METALLIC GLASSES; SALT DEPOSITS; SEMICONDUCTOR MATERIALS; TIN TELLURIDES; TRANSITION ELEMENTS; ZINC SULFIDES