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

Abstract

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.

Authors:
 [1];  [1];  [1];  [2];  [3];  [4];  [4];  [1]
  1. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.; Univ. of Tennessee, Knoxville, TN (United States)
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE; Virginia Polytechnic Institute and State University (Virginia Tech)
OSTI Identifier:
1337029
Alternate Identifier(s):
OSTI ID: 1335724; OSTI ID: 1397255
Grant/Contract Number:  
AC05-00OR22725; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 22; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Ma, Hao, Li, Chen, Tang, Shixiong, Yan, Jiaqiang, Alatas, Ahmet, Lindsay, Lucas, Sales, Brian C., and Tian, Zhiting. Boron arsenide phonon dispersion from inelastic x-ray scattering: Potential for ultrahigh thermal conductivity. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.220303.
Ma, Hao, Li, Chen, Tang, Shixiong, Yan, Jiaqiang, Alatas, Ahmet, Lindsay, Lucas, Sales, Brian C., & Tian, Zhiting. Boron arsenide phonon dispersion from inelastic x-ray scattering: Potential for ultrahigh thermal conductivity. United States. doi:10.1103/PhysRevB.94.220303.
Ma, Hao, Li, Chen, Tang, Shixiong, Yan, Jiaqiang, Alatas, Ahmet, Lindsay, Lucas, Sales, Brian C., and Tian, Zhiting. Wed . "Boron arsenide phonon dispersion from inelastic x-ray scattering: Potential for ultrahigh thermal conductivity". United States. doi:10.1103/PhysRevB.94.220303. https://www.osti.gov/servlets/purl/1337029.
@article{osti_1337029,
title = {Boron arsenide phonon dispersion from inelastic x-ray scattering: Potential for ultrahigh thermal conductivity},
author = {Ma, Hao and Li, Chen and Tang, Shixiong and Yan, Jiaqiang and Alatas, Ahmet and Lindsay, Lucas and Sales, Brian C. and Tian, Zhiting},
abstractNote = {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.},
doi = {10.1103/PhysRevB.94.220303},
journal = {Physical Review B},
number = 22,
volume = 94,
place = {United States},
year = {2016},
month = {12}
}

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