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Title: First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?

Authors:
; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1383866
DOE Contract Number:  
SC0001299; FG02-09ER46577
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 111; Journal Issue: 2; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
solar (photovoltaic), solar (thermal), solid state lighting, phonons, thermal conductivity, thermoelectric, defects, mechanical behavior, charge transport, spin dynamics, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable processing)

Citation Formats

Lindsay, L., Broido, D. A., and Reinecke, T. L. First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?. United States: N. p., 2013. Web. doi:10.1103/PhysRevLett.111.025901.
Lindsay, L., Broido, D. A., & Reinecke, T. L. First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?. United States. doi:10.1103/PhysRevLett.111.025901.
Lindsay, L., Broido, D. A., and Reinecke, T. L. Mon . "First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?". United States. doi:10.1103/PhysRevLett.111.025901.
@article{osti_1383866,
title = {First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?},
author = {Lindsay, L. and Broido, D. A. and Reinecke, T. L.},
abstractNote = {},
doi = {10.1103/PhysRevLett.111.025901},
journal = {Physical Review Letters},
issn = {0031-9007},
number = 2,
volume = 111,
place = {United States},
year = {2013},
month = {7}
}

Works referenced in this record:

Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study
journal, January 2011


Intrinsic lattice thermal conductivity of semiconductors from first principles
journal, December 2007

  • Broido, D. A.; Malorny, M.; Birner, G.
  • Applied Physics Letters, Vol. 91, Issue 23
  • DOI: 10.1063/1.2822891

Preparation and Properties of Boron Arsenides and Boron Arsenide-Gallium Arsenide Mixed Crystals
journal, January 1966

  • Ku, S. M.
  • Journal of The Electrochemical Society, Vol. 113, Issue 8
  • DOI: 10.1149/1.2424125

Electronic and phonon properties of B X ( 110 ) ( X = P , As, and Sb) and Be Y ( 110 ) ( Y = S , Se, and Te) surfaces
journal, March 2009


Ab initio thermal transport in compound semiconductors
journal, April 2013


Lattice thermal conductivity of MgO at conditions of Earth's interior
journal, February 2010

  • Tang, X.; Dong, J.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 10
  • DOI: 10.1073/pnas.0907194107

Nitrogen in diamond: evidence from thermal conductivity
journal, November 1975

  • Berman, R.; Hudson, P. R. W.; Martinez, M.
  • Journal of Physics C: Solid State Physics, Vol. 8, Issue 21
  • DOI: 10.1088/0022-3719/8/21/003

Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001

  • Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea
  • Reviews of Modern Physics, Vol. 73, Issue 2
  • DOI: 10.1103/RevModPhys.73.515

Anisotropic Thermal Conductivity of Pyrolytic Graphite
journal, August 1962


Thermal conductivity of half-Heusler compounds from first-principles calculations
journal, September 2011


Thermal conductivity of a boron phosphide single‐crystal wafer up to high temperature
journal, March 1989

  • Kumashiro, Y.; Mitsuhashi, T.; Okaya, S.
  • Journal of Applied Physics, Vol. 65, Issue 5
  • DOI: 10.1063/1.342867

Spontaneous phonon decay selection rule: N and U processes
journal, March 1981


Some aspects of the thermal conductivity of isotopically enriched diamond single crystals
journal, May 1992


Thermal conductivity of diamond between 170 and 1200 K and the isotope effect
journal, June 1993


Inhomogeneous Electron Gas
journal, November 1964


Isotope effect in the thermal conductivity of germanium single crystals
journal, March 1996

  • Ozhogin, V. I.; Inyushkin, A. V.; Taldenkov, A. N.
  • Journal of Experimental and Theoretical Physics Letters, Vol. 63, Issue 6
  • DOI: 10.1134/1.567053

Computer engineering: Feeling the heat
journal, December 2012


Thermal Conductivity of Pure and Impure Silicon, Silicon Carbide, and Diamond
journal, December 1964

  • Slack, Glen A.
  • Journal of Applied Physics, Vol. 35, Issue 12
  • DOI: 10.1063/1.1713251

Phonon conduction in PbSe, PbTe, and PbTe 1 x Se x from first-principles calculations
journal, May 2012


Pressure Induced Metastable Amorphization of BAs: Evidence for a Kinetically Frustrated Phase Transformation
journal, October 1994


Ab initio theory of the lattice thermal conductivity in diamond
journal, September 2009


Synthesis and Characterization of a p-Type Boron Arsenide Photoelectrode
journal, June 2012

  • Wang, Shijun; Swingle, Sarah F.; Ye, Heechang
  • Journal of the American Chemical Society, Vol. 134, Issue 27
  • DOI: 10.1021/ja301765v

Some effects of oxygen impurities on AlN and GaN
journal, December 2002

  • Slack, Glen A.; Schowalter, Leo J.; Morelli, Donald
  • Journal of Crystal Growth, Vol. 246, Issue 3-4, p. 287-298
  • DOI: 10.1016/S0022-0248(02)01753-0

Thermal Conductivity and Large Isotope Effect in GaN from First Principles
journal, August 2012


The intrinsic thermal conductivity of AIN
journal, January 1987

  • Slack, Glen A.; Tanzilli, R. A.; Pohl, R. O.
  • Journal of Physics and Chemistry of Solids, Vol. 48, Issue 7
  • DOI: 10.1016/0022-3697(87)90153-3

Nonmetallic crystals with high thermal conductivity
journal, January 1973


Thermal conductivity of isotopically modified single crystal diamond
journal, June 1993


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


On the isotope effect in thermal conductivity of silicon
journal, November 2004

  • Inyushkin, A. V.; Taldenkov, A. N.; Gibin, A. M.
  • physica status solidi (c), Vol. 1, Issue 11
  • DOI: 10.1002/pssc.200405341