Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe2

Wei, Bin; Liu, Junyan; Cai, Qingan; Alatas, Ahmet; said, Ayman H.; Hu, Meihua; Li, Chen; Hong, Jiawang

doi:10.1016/j.mtphys.2021.100599

Title: Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe₂

Journal Article · 23 December 2021 · Materials Today Physics

DOI: https://doi.org/10.1016/j.mtphys.2021.100599 · OSTI ID:1846427

^[1]; Liu, Junyan ^[2]; Cai, Qingan ^[3];

^[4]; said, Ayman H. ^[4]; Hu, Meihua ^[5];

^[3];

^[2]

Henan Polytechnic University, Jiaozuo (China); Beijing Institute of Technology (China)
Beijing Institute of Technology (China)
Univ. of California, Riverside, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Henan Polytechnic University, Jiaozuo (China)

In two-dimensional materials, different atomic stacking induces anisotropic atomic interactions and phonon dispersions, leading to the anisotropy of in-plane thermal transport. In this work, we report an exceptional case in layered pentagonal PdSe₂, where the bonding, force constants, and lattice constants are nearly-equal along the in-plane crystallographic axis directions, while the thermal conductivity is surprisingly much greater along b-axis than along a-axis with a ratio up to 1.8. Such strong anisotropy is not only unexpected in in-plane uniform structured materials, but also 2 comparable to the record high in-plane anisotropic thermal conductivity in the nonuniform structured material reported to date (the ratio is ~2.0 in TiS₃). By combining the inelastic X-ray scattering measurement and the first-principles calculations, we attribute such high anisotropy to the low-energy phonons along a-axis, particularly their lower group velocities and “avoided-crossing” behavior. The different buckling structures between a- (zigzag-type) and b-axis (flat-type) are mainly responsible for such unique phonon dynamics properties of PdSe₂. This finding helps to discover materials with high anisotropic in-plane thermal conductivity in uniform structures and reveals new physics of anisotropy of in-plane thermal conduction. Due to the unique features in structure and thermal transport properties, PdSe₂ may serve as a new platform for designing novel devices to route heat flow precisely at the nanoscale.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: Beijing Natural Science Foundation; National Key Research and Development Program of China; National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1846427

Journal Information:: Materials Today Physics, Journal Name: Materials Today Physics Vol. 22; ISSN 2542-5293

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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phonon dispersion
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Title: Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe2

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Title: Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe₂