[S3] Tailoring of Nano/Micro-Space for Advanced Functions III

[S3.9] The electronic properties and thermodynamic stability of Si clathrates

*BELOSLUDOV Rodion¹, MORITO Haruhiko¹ (1. Institute for Materials Research, Tohoku University)

Keywords:Si clathrate、first-principles calculations、thermodynamic stability、electronic structure

Inorganic clathrates are chemically versatile compounds having a variety of different structure types and guest species. The electronic and thermodynamic stability of Si clathrates have been studied.