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

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:
Grant/Contract Number:
AC05-00OR22725
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)
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:
1479763
Alternate Identifier(s):
OSTI ID: 1478594

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., 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. 2018. "Fermi Surface Nesting and Phonon Frequency Gap Drive Anomalous Thermal Transport". United States. doi:10.1103/PhysRevLett.121.175901.
@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}
}

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