[12p-A202-1~13] 13.1 Fundamental properties, surface and interface, and simulations of Si related materials

▼ [12p-A202-12] A New Unidentified Phonon State in SiGe Alloys Reproduced by Molecular Dynamics Simulation

〇(D)Sylvia YukYee Chung¹, Motohiro Tomita^1,2, Ryo Yokogawa^3,4, Atsushi Ogura³, Takanobu Watanabe^1,2 (1.Waseda University, 2.Org. Univ. Res. Init, 3.Meiji University, 4.JSPS Res. Fellow DC)

Keywords:silicon germanium, molecular dynamics, phonon dispersion relation

Molecular dynamics was applied to bulk SiGe alloy and compounds in order to investigate the phonon dispersion relations. The mass difference and potential difference was tested for a range of structures. Phonon modes for the Si-Si, Si-Ge and Ge-Ge bonds appeared, but an additional phonon mode appeared within the low energy region. With a group velocity assumed to be zero, questions of the origins of such a mode has been raised.