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

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

Journal Article · Wed Dec 14 00:00:00 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) similar to 2000Wm(-1)K(-1) at room temperature, comparable to that of diamond, based on first-principles calculations. Subsequent experimental measurements, however, only obtained a k of similar to 200Wm(-1)K(-1). To gain insight into this discrepancy, we measured phonon dispersion of single-crystal BAs along high symmetry directions using inelastic x-ray scattering 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.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE; Virginia Polytechnic Institute and State University (Virginia Tech)

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357

OSTI ID:: 1337029

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

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

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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High Thermal Conductivity in Boron Arsenide: From Prediction to Reality Tian, Fei; Ren, Zhifeng Angewandte Chemie, Vol. 131, Issue 18 https://doi.org/10.1002/ange.201812112	journal	April 2019
Seeded growth of boron arsenide single crystals with high thermal conductivity Tian, Fei; Song, Bai; Lv, Bing Applied Physics Letters, Vol. 112, Issue 3 https://doi.org/10.1063/1.5004200	journal	January 2018
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
Probing polaritons in the mid- to far-infrared Folland, T. G.; Nordin, L.; Wasserman, D. Journal of Applied Physics, Vol. 125, Issue 19 https://doi.org/10.1063/1.5090777	journal	May 2019
Perspective on ab initio phonon thermal transport Lindsay, Lucas; Katre, Ankita; Cepellotti, Andrea Journal of Applied Physics, Vol. 126, Issue 5 https://doi.org/10.1063/1.5108651	journal	August 2019
High Thermal Conductivity in Boron Arsenide: From Prediction to Reality Tian, Fei; Ren, Zhifeng Angewandte Chemie International Edition, Vol. 58, Issue 18 https://doi.org/10.1002/anie.201812112	journal	April 2019

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