Lattice thermal conductivity of Bi, Sb, and Bi-Sb alloy from first principles
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Lee-2014-Lattice thermal conductivity.pdf
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Author(s)
Lee, Sangyeop
Esfarjani, Keivan
Chen, Gang
Mendoza, Jonathan M.
Dresselhaus, Mildred
Date Issued
February 2014
Journal
Physical Review B
Publisher
American Physical Society
Citation
Lee, Sangyeop, Keivan Esfarjani, Jonathan Mendoza, Mildred S. Dresselhaus, and Gang Chen. “Lattice Thermal Conductivity of Bi, Sb, and Bi-Sb Alloy from First Principles.” Phys. Rev. B 89, no. 8 (February 2014). © 2014 American Physical Society
Version
Final published version
Abstract
Using first principles, we calculate the lattice thermal conductivity of Bi, Sb, and Bi-Sb alloys, which are of great importance for thermoelectric and thermomagnetic cooling applications. Our calculation reveals that the ninth-neighbor harmonic and anharmonic force constants are significant; accordingly, they largely affect the lattice thermal conductivity. Several features of the thermal transport in these materials are studied: (1) the relative contributions from phonons and electrons to the total thermal conductivity as a function of temperature are estimated by comparing the calculated lattice thermal conductivity to the measured total thermal conductivity, (2) the anisotropy of the lattice thermal conductivity is calculated and compared to that of the electronic contribution in Bi, and (3) the phonon mean free path distributions, which are useful for developing nanostructures to reduce the lattice thermal conductivity, are calculated. The phonon mean free paths are found to range from 10 to 100 nm for Bi at 100 K.
MIT Department
Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science
Massachusetts Institute of Technology. Department of Mechanical Engineering
Massachusetts Institute of Technology. Department of Physics
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.89.085206
