Boron arsenide phonon dispersion from inelastic x-ray scattering: Potential for ultrahigh thermal conductivity

Ma, Hao; Li, Chen; Tang, Shixiong; Yan, Jiaqiang; Alatas, Ahmet; Lindsay, Lucas; Sales, Brian C.; Tian, Zhiting

doi:10.1103/PhysRevB.94.220303

Boron arsenide phonon dispersion from inelastic x-ray scattering: Potential for ultrahigh thermal conductivity

Journal Article · Wed Dec 14 04:00:00 EST 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.220303· OSTI ID:1337029

Ma, Hao ^[1]; Li, Chen ^[1]; Tang, Shixiong ^[1]; Yan, Jiaqiang ^[2]; Alatas, Ahmet ^[3]; Lindsay, Lucas ^[4]; Sales, Brian C. ^[4]; Tian, Zhiting ^[1]

Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.; Univ. of Tennessee, Knoxville, TN (United States)
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.

Cubic boron arsenide (BAs) was predicted to have an exceptionally high thermal conductivity (k) ~2000 Wm^-1K^-1 at room temperature, comparable to that of diamond, based on first-principles calculations. Subsequent experimental measurements, however, only obtained a k of ~200 Wm-1K-1. To gain insight into this discrepancy, we measured phonon dispersion of single crystal BAs along high symmetry directions using inelastic x-ray scattering (IXS) and compared these with first-principles calculations. Based on the measured phonon dispersion, we have validated the theoretical prediction of a large frequency gap between acoustic and optical modes and bunching of acoustic branches, which were considered the main reasons for the predicted ultrahigh k. This supports its potential to be a super thermal conductor if very high-quality single crystal samples can be synthesized.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1337029

Alternate ID(s):: OSTI ID: 1335724
OSTI ID: 1397255

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 22 Vol. 94; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Impurity-derived p -type conductivity in cubic boron arsenide Lyons, John L.; Varley, Joel B.; Glaser, Evan R. Applied Physics Letters, Vol. 113, Issue 25 https://doi.org/10.1063/1.5058134	journal	December 2018
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Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids Feng, Tianli; Lindsay, Lucas; Ruan, Xiulin Physical Review B, Vol. 96, Issue 16 https://doi.org/10.1103/physrevb.96.161201	journal	October 2017
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