English

Theoretical specific heat, and thermal conductivity estimated by detailed phonon vibrations

Materials Science 2020-03-05 v2

Abstract

We report the calculation results of specific heat (cvc_v), and thermal conductivity (κ\kappa) by using Einstein, and Debye models about rock salt (NaCl), oxides: Nax_xCoO2_2, SrTiO3_3, and LiNbO3_3. In calculation, the longitudinal (L), and transverse (T) sound velocities (vTv_T, vLv_L) were estimated from acoustic phonons' dispersion's (~ω\omega/KK) in above materials, and the average sound velocities (vav_a) were input into Debye model for κ\kappa equation, and results were compared with that of Einstein model. In some oxides, vav_a is relatively reduced at slight high vTv_T (vTv_T/vLv_L=0.3-0.5). The relation of κ\kappa, vav_a and TT were imaged as the contour plots about realizing low κ\kappa values to be application of thermoelectric properties.

Keywords

Cite

@article{arxiv.1807.00237,
  title  = {Theoretical specific heat, and thermal conductivity estimated by detailed phonon vibrations},
  author = {Hirofumi Kakemoto},
  journal= {arXiv preprint arXiv:1807.00237},
  year   = {2020}
}