skip to main content

DOE PAGESDOE PAGES

Title: Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids

We rigorously calculate intrinsic phonon thermal resistance from four-phonon scattering processesusing rst principles Boltzmann transport methods. Fundamental questions concerning the role ofhigher order scattering at high temperature and in systems with otherwise weak intrinsic scatteringare answered. Using diamond and silicon as benchmark materials, the predicted thermal conductiv-ity including intrinsic four-phonon resistance gives signicantly better agreement with measurementsat high temperatures than previous rst principles calculations. In the predicted ultrahigh thermalconductivity material, zincblende BAs, four-phonon scattering is strikingly strong when comparedto three-phonon processes, even at room temperature, as the latter have an extremely limited phasespace for scattering. Including four-phonon thermal resistance reduces the predicted thermal con-ductivity of BAs from 2200 W/m-K to 1400 W/m-K.
Authors:
 [1] ; ORCiD logo [2] ;  [1]
  1. Purdue Univ., West Lafayette, IN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 16; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1427696
Alternate Identifier(s):
OSTI ID: 1405214

Feng, Tianli, Lindsay, Lucas R., and Ruan, Xiulin. Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids. United States: N. p., Web. doi:10.1103/PhysRevB.96.161201.
Feng, Tianli, Lindsay, Lucas R., & Ruan, Xiulin. Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids. United States. doi:10.1103/PhysRevB.96.161201.
Feng, Tianli, Lindsay, Lucas R., and Ruan, Xiulin. 2017. "Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids". United States. doi:10.1103/PhysRevB.96.161201. https://www.osti.gov/servlets/purl/1427696.
@article{osti_1427696,
title = {Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids},
author = {Feng, Tianli and Lindsay, Lucas R. and Ruan, Xiulin},
abstractNote = {We rigorously calculate intrinsic phonon thermal resistance from four-phonon scattering processesusing rst principles Boltzmann transport methods. Fundamental questions concerning the role ofhigher order scattering at high temperature and in systems with otherwise weak intrinsic scatteringare answered. Using diamond and silicon as benchmark materials, the predicted thermal conductiv-ity including intrinsic four-phonon resistance gives signicantly better agreement with measurementsat high temperatures than previous rst principles calculations. In the predicted ultrahigh thermalconductivity material, zincblende BAs, four-phonon scattering is strikingly strong when comparedto three-phonon processes, even at room temperature, as the latter have an extremely limited phasespace for scattering. Including four-phonon thermal resistance reduces the predicted thermal con-ductivity of BAs from 2200 W/m-K to 1400 W/m-K.},
doi = {10.1103/PhysRevB.96.161201},
journal = {Physical Review B},
number = 16,
volume = 96,
place = {United States},
year = {2017},
month = {10}
}

Works referenced in this record:

First-Principles Determination of Ultrahigh Thermal Conductivity of Boron Arsenide: A Competitor for Diamond?
journal, July 2013

Ultralow thermal conductivity and high thermoelectric figure of merit in SnSe crystals
journal, April 2014
  • Zhao, Li-Dong; Lo, Shih-Han; Zhang, Yongsheng
  • Nature, Vol. 508, Issue 7496, p. 373-377
  • DOI: 10.1038/nature13184

Thermal conductivity of isotopically enriched silicon
journal, June 2000