[18p-E303-1~11] 13.1 Fundamental properties, surface and interface, and simulations of Si related materials

▼ [18p-E303-9] Simulated Phonon Lifetimes of Defect Bulk Silicon

〇(D)Sylvia YukYee Chung¹, Motohiro Tomita¹, Takanobu Watanabe¹ (1.Waseda Univ.)

Keywords:silicon, molecular dynamics, defect

Molecular dynamics was used to investigate the defect dependency of phonon lifetimes in bulk silicon. Phonon dispersion relations were obtained from the Fourier transform via the spectral energy density, from which, the phonon lifetimes were deduced by measuring the linewidths. It is found that the addition of defects produces phonon lifetimes which are shorter than for a structure with no defects. Phonon lifetimes and structural defects are concepts which both contribute to the lowering of thermal conductivity in semiconductors, yet the two are rarely studied together as the main theme of research. The addition of defects provides insight as to what phonon lifetimes a semiconductor, with impurities of similar defect densities, would produce. This study aims to report the findings an implemented point defect has on the phonon lifetime.