Takagiwa, Y. and Pei, Y. and Pomrehn, G. and Snyder, G. J. (2012) Dopants effect on the band structure of PbTe thermoelectric material. Applied Physics Letters, 101 (9). Art. No. 092102. ISSN 0003-6951 http://resolver.caltech.edu/CaltechAUTHORS:20121105-151602259
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PbTe is a promising thermoelectric material and its dimensionless figure of merit, zT, can be enhanced by optimizing the band structure near the Fermi level via chemical doping. This letter describes the dopants effect on bandgap, E_g, and effective mass, m*, for disordered La- and I-doping, based on theoretical calculations. E_g increases with increasing La and decreases with increasing I concentration. While m* increases upon La-doping, I-doping does not change m* noticeably. The calculated results are qualitatively consistent with the experimental results and explain the higher zT, up to 1.4 at 800 K, observed in I-doping PbTe compared to La-doping.
|Additional Information:||© 2012 American Institute of Physics. Received 29 June 2012; accepted 14 August 2012; published online 27 August 2012. This work is partially supported by KAKENHI No. 23760623 from JSPS and NASA-JPL.|
|Subject Keywords:||doping profiles, effective mass, energy gap, Fermi level, iodine, IV-VI semiconductors, lanthanum, lead compounds, semiconductor doping, thermoelectricity|
|Classification Code:||PACS: 61.72.up; 61.72.sd; 72.80.Jc; 71.20.Nr; 72.20.Pa; 71.18.+y. IPC: H01L21/02; H01L21/70.|
|Official Citation:||Dopants effect on the band structure of PbTe thermoelectric material Y. Takagiwa, Y. Pei, G. Pomrehn, and G. J. Snyder, Appl. Phys. Lett. 101, 092102 (2012), DOI:10.1063/1.4748363|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Tony Diaz|
|Deposited On:||08 Nov 2012 19:32|
|Last Modified:||27 Dec 2012 02:58|
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