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Electronic Structure and Transport Properties of CoSb3: A Narrow Band-Gap Semiconductor

Published online by Cambridge University Press:  10 February 2011

J. O. Sofo  and
G. D. Mahan
J. O. Sofo
Affiliation:
Centro Atómico Bariloche and Instituto Balseiro, Comisión Nacional de Energía Atómica, (8400) Bariloche RN, Argentina, sofotrcab.cnea.edu.ar
G. D. Mahan
Affiliation:
Solid State Division, Oak Ridge National Laboratory P.O.Box 2008, Oak Ridge, TN 37831–6030, and Department of Physics and Astronomy, The University of Tennessee, Knoxville, TN 37996–1200
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Abstract

We report calculations which show that the band structure of CoSb3 is typical of a narrow band-gap semiconductor. The gap is strongly dependent on the relative position of the Sb atoms inside the unit cell. We obtain a band gap of 0.22 eV after minimization of these position. This value is more than four times larger than the result of a previous calculation which reported that the energy bands near the Fermi surface are unusual. The electronic states close to the Fermi level are properly described by a two-band Kane Model. The calculated effective masses and band gap are in excellent agreement with Shubnikov de Haas and Hall effect measurements. Recent measurements of the transport coefficients of this compound can be understood assuming it is a narrow band gap semiconductor, in agreement with our results.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 545: Symposium Z – Thermoelectric Materials 1998 - The Next Generation… , 1998 , 315
Copyright
Copyright © Materials Research Society 1999

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