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Applied Physics Letters / Volume 97 / Issue 21 / ELECTRONIC TRANSPORT AND SEMICONDUCTORS

Appl. Phys. Lett. 97, 212102 (2010); http://dx.doi.org/10.1063/1.3518078 (3 pages)

Thermoelectric properties of Bi2Te3 atomic quintuple thin films

Ferdows Zahid and Roger Lake

Department of Electrical Engineering, University of California, Riverside, California 92521-0204, USA

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(Received 22 September 2010; accepted 28 October 2010; published online 23 November 2010)

Motivated by recent experimental realizations of quintuple atomic layer films of Bi2Te3, the thermoelectric figure of merit ZT of the quintuple layer is calculated and found to increase by a factor of 10 (ZT = 7.15) compared to that of the bulk at room-temperature. The large enhancement in ZT results from the change in the distribution of the valence band density of modes brought about by the quantum confinement in the thin film. The theoretical model uses ab initio electronic structure calculations (VASP) with full quantum-mechanical structure relaxation combined with a Landauer formalism for the linear-response transport coefficients.

© 2010 American Institute of Physics

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KEYWORDS and PACS

Keywords

ab initio calculations, bismuth compounds, thermoelectricity, thin films, valence bands

PACS

  • 73.50.Lw

    Thermoelectric effects

  • 72.20.Pa

    Thermoelectric and thermomagnetic effects

  • 71.15.-m

    Methods of electronic structure calculations

  • 71.20.Ps

    Other inorganic compounds

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3518078

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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