Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics
Journal Article
·
· Physical Review. B, Condensed Matter and Materials Physics
- Indian Institute of Technology Hyderabad, Telangana (India)
- Univ. of Hyderabad, Telangana (India)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Aarhus Univ., Aarhus (Denmark)
- Michigan State Univ., East Lansing, MI (United States)
Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm–1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.
- Research Organization:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- AC05-00OR22725; SC0001299; FG02-09ER46577
- OSTI ID:
- 1195812
- Alternate ID(s):
- OSTI ID: 1194832
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 92, Issue 4; ISSN 1098-0121
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 33 works
Citation information provided by
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