Tailoring band gap and hardness by intercalation: An ab initio study of I8 @ Si-46 and related doped clathrates
- Connétable, D.
- Timoshevskii, V.
- Artacho, E.
- Blase, X.
ISSN: 1079-7114, 0031-9007
Year of publication: 2001
Volume: 87
Issue: 20
Pages: 206405-1-206405-4
Type: Article