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 (), and thermal conductivity () by using Einstein, and Debye models about rock salt (NaCl), oxides: NaCoO, SrTiO, and LiNbO. In calculation, the longitudinal (L), and transverse (T) sound velocities (, ) were estimated from acoustic phonons' dispersion's (~/) in above materials, and the average sound velocities () were input into Debye model for equation, and results were compared with that of Einstein model. In some oxides, is relatively reduced at slight high (/=0.3-0.5). The relation of , and were imaged as the contour plots about realizing low 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}
}