Computational Revolutions in Lattice Thermal Conductivity

Abstract:

Understanding and controlling the phonon, the dominant heat carrier of semiconductor materials, is essential to developing a wide variety of applications. This article studies the theoretical and computational approach of the calculation of lattice thermal conductivity of semiconducting materials. Despite having different methods to calculate the lattice thermal conductivity, first-principle estimates predict more accurately in most applications. This motivates to present the descriptive explanation on first-principle calculation with the combination of lattice dynamics and Boltzmann transport equation. Finally, we summarized an overview of the recent achievements and opportunities.

• Periodical: Solid State Phenomena (Volume 324)
• Pages: 181-187
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.324.181
• Online since: September 2021
• Authors: Lahiruni Isurika Ranasinghe*, Chung Hao Hsu
• Keywords: Boltzmann Transport Equation, First Principles, Lattice Dynamics, Lattice Thermal Conductivity, Phonon

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