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Title: Electronic and thermoelectric properties of Ce{sub 3}Te{sub 4} and La{sub 3}Te{sub 4} computed with density functional theory with on-site Coulomb interaction correction

The electronic properties and Seebeck coefficients of Ce{sub 3}Te{sub 4} and La{sub 3}Te{sub 4} are computed using Density Functional Theory with on-site Coulomb interaction correction. We found that the Seebeck coefficients of Ce{sub 3}Te{sub 4} and La{sub 3}Te{sub 4} are almost equal at temperatures larger than the Curie temperature of Ce{sub 3}Te{sub 4}, and in good agreement with the measurements reported by May et al. [Phys. Rev. B 86, 035135 (2012)]. At temperatures below the Curie temperature, the Seebeck coefficient of Ce{sub 3}Te{sub 4} increases due to the ferromagnetic ordering, which leads the f-electron of Ce to contribute to the Seebeck coefficient in the relevant range of electron concentration.
Authors:
; ; ; ; ;  [1]
  1. Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California 91109 (United States)
Publication Date:
OSTI Identifier:
22305751
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 13; Other Information: (c) 2014 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; CERIUM TELLURIDES; COMPUTERIZED SIMULATION; CONCENTRATION RATIO; CORRECTIONS; COULOMB CORRECTION; CURIE POINT; DENSITY FUNCTIONAL METHOD; ELECTRICAL PROPERTIES; INTERACTIONS; LANTHANUM TELLURIDES; SEEBECK EFFECT; THERMOELECTRIC PROPERTIES