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Electronic Structure and Thermoelectric Properties: PbBi2Te4 and Related Intergrowth Compounds

Journal Article · · Physical Review B
The layered PbTe:Bi{sub 2}Te{sub 3} intergrowth compound, PbBi{sub 2}Te{sub 4}, and related materials are investigated using first-principles calculations and Boltzmann transport theory. The electronic structures of these compounds are closely related to those of the end points, especially Bi{sub 2}Te{sub 3} but the band gaps are larger than those of Bi{sub 2}Te{sub 3}. The calculated thermopowers are comparable to those of Bi{sub 2}Te{sub 3} at similar doping levels but extend to higher temperatures due to the larger band gaps with the implication that the thermoelectric performance of these compounds will be best at temperatures above the range of Bi{sub 2}Te{sub 3}.
Research Organization:
Oak Ridge National Laboratory (ORNL)
Sponsoring Organization:
EE USDOE - Office of Energy Efficiency and Renewable Energy (EE); SC USDOE - Office of Science (SC)
DOE Contract Number:
AC05-00OR22725
OSTI ID:
982735
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 24 Vol. 81; ISSN 1098-0121; ISSN 1550-235X
Country of Publication:
United States
Language:
English

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