Electronic structure and volume effect on thermoelectric transport in p -type Bi and Sb tellurides

Min Sik Park, Jung Hwan Song, Julia E. Medvedeva, Miyoung Kim, In Gee Kim, Arthur J Freeman

Research output: Contribution to journalArticle

48 Citations (Scopus)

Abstract

Thermoelectric transport properties (Seebeck coefficient, S, and electrical conductivity, σ) of p -type Bi and Sb tellurides are investigated using a first-principles all-electron density-functional approach. We demonstrate that the carrier concentration, band gap, and lattice constants have an important influence on the temperature behavior of S and that the volume expansion by 5.5% in Sb2 Te3 results in an increase in S by 33μV/K at 300 K. We argue that in addition to the electronic structure characteristics, the volume also affects the value of S and hence should be considered as an origin of the experimental observations that S can be enhanced by doping Sb2 Te3 with Bi (which has a larger ionic size) in Sb sites or by the deposition of thick Bi2 Te3 layers alternating with thinner Sb2 Te3 layers in a superlattice, Bi2 Te3 / Sb2 Te3. We show that the optimal carrier concentration for the best power factor of Bi2 Te3 and Sb2 Te3 is approximately 1019 cm-3.

Original languageEnglish
Article number155211
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume81
Issue number15
DOIs
Publication statusPublished - Apr 20 2010

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tellurides
Electronic structure
Carrier concentration
electronic structure
conductivity
Seebeck effect
Seebeck coefficient
transport properties
Transport properties
electrical resistivity
Lattice constants
expansion
Energy gap
Doping (additives)
temperature
Temperature

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Electronic structure and volume effect on thermoelectric transport in p -type Bi and Sb tellurides. / Park, Min Sik; Song, Jung Hwan; Medvedeva, Julia E.; Kim, Miyoung; Kim, In Gee; Freeman, Arthur J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 81, No. 15, 155211, 20.04.2010.

Research output: Contribution to journalArticle

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AU - Kim, In Gee

AU - Freeman, Arthur J

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