Published June 7, 2013
| Published
Journal Article
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Validity of rigid band approximation of PbTe thermoelectric materials
Chicago
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Abstract
The tuning of carrier concentration through chemical doping is very important for the optimization of thermoelectric materials. Traditionally, a rigid band model is used to understand and guide doping in such semiconductors, but it is not clear whether such an approximation is valid. This letter focuses on the changes in the electronic density of states (DOS) near the valence band maximum for different p-type dopants (Na, K, Tl, or vacancy on Pb site) maintaining the high symmetry of the NaCl structure. Na-and K-doped, and vacancy-introduced PbTe show a clear rigid-band like change in DOS unlike that concluded from supercell based calculations.
Additional Information
©2013 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. Received 9 March 2013; accepted 26 April 2013; published online 7 June 2013. This work is supported by KAKENHI Grant No. 23760623 from JSPS, the Sumitomo Foundation (Grant No. 120567), and NASA-JPL.Attached Files
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Additional details
- Eprint ID
- 42580
- Resolver ID
- CaltechAUTHORS:20131119-142441450
- Japan Society for the Promotion of Science (JSPS) KAKENHI
- 23760623
- Sumitomo Foundation
- 120567
- NASA/JPL
- Created
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2013-11-19Created from EPrint's datestamp field
- Updated
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2021-11-10Created from EPrint's last_modified field