[19a-S223-1~13] 13.1 Fundamental properties, surface and interface, and simulations of Si related materials

[19a-S223-13] Design of SiGe Alloy with Low Thermal Conductivity: Molecular Dynamics Simulations

〇Norihiko Takahashi¹, Chioko Kaneta¹ (1.Fujitsu Laboratories Ltd.)

Keywords:SiGe alloy,Thermal conductivity,Molecular dynamics

We investigated thermal conductivity of SiGe alloys focusing on the dependence on the compositions and randomness of the atomic configuration and that of SiGe layered structure focusing on the dependence on the layer period using molecular dynamics simulations. In SiGe alloy, phonon thermal conductivity is drastically decreased with increasing randomness of the atomic configuration in any composition. In SiGe layered structure, thermal conductivity is decreased with increasing the layer period to be comparable to that of SiGe alloy.