Understanding the evolution of anomalous anharmonicity in Bi2Te3-xSex

Tian, Yao; Jia, Shuang; Cava, R. J.; Zhong, Ruidan; Schneeloch, John; Gu, Genda; Burch, Kenneth S.

doi:10.1103/PhysRevB.95.094104

Understanding the evolution of anomalous anharmonicity in ${Bi}_{2} {Te}_{3 - x} {Se}_{x}$

Journal Article · Wed Mar 08 00:00:00 EST 2017 · Physical Review. B

DOI:https://doi.org/10.1103/PhysRevB.95.094104· OSTI ID:1372431

Tian, Yao ^[1]; Jia, Shuang ^[2]; Cava, R. J. ^[2]; Zhong, Ruidan ^[3]; Schneeloch, John ^[3]; Gu, Genda ^[3]; Burch, Kenneth S. ^[4]

Univ. of Toronto, ON (Canada). Dept. of Physics & Inst. of Optical Sciences
Princeton Univ., NJ (United States). Dept. of Chemistry
Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
Boston College, Chestnut Hill, MA (United States). Dept. of Physics

The anharmonic effect in thermoelectrics has been a central topic for decades in both condensed matter physics and material science. However, despite the long-believed strong and complex anharmonicity in the Bi₂Te_3-xSe_x series, experimental verification of anharmonicity and its evolution with doping remains elusive. We fill this important gap with high-resolution, temperature-dependent Raman spectroscopy in high-quality single crystals of Bi₂Te, Bi₂Te₂Se , and Bi₂Se₃ over the temperature range from 4 to 293 K. Klemens's model was employed to explain the renormalization of their phonon linewidths. The phonon energies of Bi₂Se₃ and Bi₂Te₃ are analyzed in detail from three aspects: lattice expansion, cubic anharmonicity, and quartic anharmonicity. For the first time, we explain the evolution of anharmonicity in various phonon modes and across the series. Lastly, in particular, we find that the interplay between cubic and quartic anharmonicity is governed by their distinct dependence on the phonon density of states, providing insights into anomalous anharmonicity designing of new thermoelectrics.

View Accepted Manuscript (DOE)

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0012704

OSTI ID:: 1372431

Report Number(s):: BNL--113904-2017-JA; KC0201060

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 9 Vol. 95; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Coherent phonons in a Bi 2 Se 3 film generated by an intense single-cycle THz pulse Melnikov, A. A.; Boldyrev, K. N.; Selivanov, Yu. G. Physical Review B, Vol. 97, Issue 21 https://doi.org/10.1103/physrevb.97.214304	journal	June 2018
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Mode Grüneisen parameters of an efficient thermoelectric half-Heusler Pang, Hong-Jie; Chen, Liu-Cheng; Cao, Zi-Yu Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2019-00200	text	January 2018

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