[15p-F206-1~14] 22.1 Joint Session M

[15p-F206-8] Design of Si/Ge Layered Structure of Low Thermal Conductivity Using Genetic Algorithm

〇Norihiko Takahashi¹, Yu Liu¹, Masayoshi Hashima¹, Chioko Kaneta¹ (1.Fujitsu Laboratories Ltd.)

Keywords:Si/Ge Layered Structure, Thermal Conductivity, Phonon

SiGe systems are expected to be ecofriendly thermoelectric materials and their nanostructures with low thermal conductivity have been designed to achieve high thermoelectric performance. We performed genetic algorithm simulations in order to find Si/Ge layered structures of low thermal conductivity using participation ratios which indicate the spatial localization of each phonon vibrational mode. We found that participation ratios correlate strongly with thermal conductivity obtained by molecular dynamics simulations. This result shows that participation ratios are useful to find candidates of low thermal conductivity among possible many structures without calculating thermal conductivities.