Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Singh, David J.; Svane, Axel; Christensen, Niels Egede; Mahanti, Subhendra D.

doi:10.1103/PhysRevB.92.045206

Title: Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

Journal Article · Wed Jul 15 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.92.045206· OSTI ID:1195812

Gudelli, Vijay Kumar ^[1]; Kanchana, V. ^[1]; Vaitheeswaran, G. ^[2]; Singh, David J. ^[3]; Svane, Axel ^[4]; Christensen, Niels Egede ^[4]; Mahanti, Subhendra D. ^[5]

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.

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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

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Cited by: 33 works

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