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Title: Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport

Abstract

The lattice thermal conductivity, kL, of typical metallic and nonmetallic crystals decreases rapidly with increasing temperature because phonons interact more strongly with other phonons than they do with electrons. Using first principles calculations, we show that kL can become nearly independent of temperature in metals that have nested Fermi surfaces and large frequency gaps between acoustic and optic phonons. Then, the interactions between phonons and electrons become much stronger than the mutual interactions between phonons, giving the fundamentally different kL behavior. This striking trend is revealed here in the group V transition metal carbides, vanadium carbide, niobium carbide, and tantalum carbide, and it should also occur in several other metal compounds. As a result, this work gives insights into the physics of heat conduction in solids and identifies a new heat flow regime driven by the interplay between Fermi surfaces and phonon dispersions.

Authors:
 [1];  [1]; ORCiD logo [2];  [1]
  1. Boston College, Chestnut Hill, MA (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
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)
OSTI Identifier:
1479763
Alternate Identifier(s):
OSTI ID: 1478594
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 17; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Li, Chunhua, Ravichandran, Navaneetha K., Lindsay, Lucas R., and Broido, David. Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.175901.
Li, Chunhua, Ravichandran, Navaneetha K., Lindsay, Lucas R., & Broido, David. Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport. United States. doi:10.1103/PhysRevLett.121.175901.
Li, Chunhua, Ravichandran, Navaneetha K., Lindsay, Lucas R., and Broido, David. Mon . "Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport". United States. doi:10.1103/PhysRevLett.121.175901. https://www.osti.gov/servlets/purl/1479763.
@article{osti_1479763,
title = {Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport},
author = {Li, Chunhua and Ravichandran, Navaneetha K. and Lindsay, Lucas R. and Broido, David},
abstractNote = {The lattice thermal conductivity, kL, of typical metallic and nonmetallic crystals decreases rapidly with increasing temperature because phonons interact more strongly with other phonons than they do with electrons. Using first principles calculations, we show that kL can become nearly independent of temperature in metals that have nested Fermi surfaces and large frequency gaps between acoustic and optic phonons. Then, the interactions between phonons and electrons become much stronger than the mutual interactions between phonons, giving the fundamentally different kL behavior. This striking trend is revealed here in the group V transition metal carbides, vanadium carbide, niobium carbide, and tantalum carbide, and it should also occur in several other metal compounds. As a result, this work gives insights into the physics of heat conduction in solids and identifies a new heat flow regime driven by the interplay between Fermi surfaces and phonon dispersions.},
doi = {10.1103/PhysRevLett.121.175901},
journal = {Physical Review Letters},
number = 17,
volume = 121,
place = {United States},
year = {2018},
month = {10}
}

Journal Article:
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Cited by: 6 works
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Figures / Tables:

Figure 1 Figure 1: Fermi surface of (a) NbC and (b) TiC calculated from first principles. Images prepared using XCrySDen. The red arrows show the three nesting vectors with lengths 0.66 (in units of 2$π$/$a$ ) along $Γ$-X, 0.71 along $Γ$-K and at the L point for NbC. Possible nesting vector formore » TiC also shown.« less

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.