Ultralow Thermal Conductivity in Diamond-Like Semiconductors: Selective Scattering of Phonons from Antisite Defects

In this work, we discover anomalously low lattice thermal conductivity (50 cm2/(Vs) at 300 °C) in Hg-containing systems, leading to predicted zT > 1.5 in Cu2HgGeTe4 and Cu2HgSnTe4 under optimized doping. In addition to introducing a potentially new p-type thermoelectric material, this work provid...

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Veröffentlicht in:Chemistry of materials 2018-05, Vol.30 (10), p.3395-3409
Hauptverfasser: Ortiz, Brenden R, Peng, Wanyue, Gomes, Lídia C, Gorai, Prashun, Zhu, Taishan, Smiadak, David M, Snyder, G. Jeffrey, Stevanović, Vladan, Ertekin, Elif, Zevalkink, Alexandra, Toberer, Eric S
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Sprache:eng
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Zusammenfassung:In this work, we discover anomalously low lattice thermal conductivity (50 cm2/(Vs) at 300 °C) in Hg-containing systems, leading to predicted zT > 1.5 in Cu2HgGeTe4 and Cu2HgSnTe4 under optimized doping. In addition to introducing a potentially new p-type thermoelectric material, this work provides (1) a strategy to use the proximity of phase transitions to increase point defect phonon scattering, and (2) a means to quantify the power of a given point defect through inexpensive phonon calculations.
ISSN:0897-4756
1520-5002
DOI:10.1021/acs.chemmater.8b00890