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Lattice Thermal Conductivity: Comparison
Please note this is a comparison between Version 2 by Jack Zhong and Version 1 by Jack Zhong.

Lattice thermal conductivity is the part of the thermal conductivity of a solid that is carried by lattice vibrations rather than by electrons, and in semiconductors and insulators it is usually the whole of it. It is the quantity that has to be minimised in a thermoelectric, because the figure of merit improves as the thermal conductivity falls while the electronic transport is left intact, and the standard strategy is to shorten the phonon mean free path by alloying, by introducing heavy or rattling atoms, or by nanostructuring, without degrading carrier mobility to the same extent. Some crystal structures are intrinsically poor conductors because of anharmonic bonding or a complex unit cell, and identifying them has become a screening exercise in its own right [1]. In a two-phase alloy the measured value is not a simple average of the constituents, since the interfaces scatter phonons as well, so a practical estimate needs a model of that extra resistance [2]. First-principles calculations of the lattice dynamics now predict the conductivity from the interatomic force constants alone [3]. They rank candidate compounds before they are made [4]. Compounds with a layered or a loosely bonded structure reach the lowest values, in some cases below one watt per metre per kelvin [5].

  • phonon transport
  • thermoelectric
  • thermal conductivity
  • phonon scattering
  • first-principles calculation
  • figure of merit

Thermal and Kinetic Analysis·Materials Chemistry·Materials Science·Physical Sciences

 

References

  1. Jana, M.K.; Biswas, K. Crystalline Solids with Intrinsically Low Lattice Thermal Conductivity for Thermoelectric Energy Conversion. ACS Energy Letters 2018, 3, 1315-1324. [CrossRef]
  2. Amouyal, Y. A Practical Approach to Evaluate Lattice Thermal Conductivity in Two-Phase Thermoelectric Alloys for Energy Applications. Materials 2017, 10, 386. [CrossRef]
  3. Sato, N.; Takagiwa, Y. First-Principles Study on Lattice Dynamics and Thermal Conductivity of Thermoelectric Intermetallics Fe3Al2Si3. Crystals 2021, 11, 388. [CrossRef]
  4. Haque, E. First-principles predictions of low lattice thermal conductivity and high thermoelectric performance of AZnSb (A = Rb, Cs). RSC Advances 2021, 11, 15486-15496. [CrossRef]
  5. Yin, X.; Zhou, L.; Wang, Q.; Liao, Y.; Lv, B. High thermoelectric performance of TlInSe3 with ultra-low lattice thermal conductivity. Frontiers in Physics 2023, 11, 1172989. [CrossRef]
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