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

2:15 PM - 2:40 PM JST(5:15 AM - 5:40 AM UTC)

[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.