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Physical Review Letters

Volumn 87, Issue 20, 2001, Pages

Tailoring band gap and hardness by intercalation: An ab initio study of I8@Si-46 and related doped clathrates

(4) Connetable D a Timoshevskii, V a Artacho, E b Blase, X a

a UNIVERSITÉ LYON 1 (France)

b UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BARIUM; BINDING ENERGY; DOPING (ADDITIVES); ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; ENERGY GAP; FERMI LEVEL; INTERCALATION COMPOUNDS; LATTICE CONSTANTS; PROBABILITY DENSITY FUNCTION; SILICON; SODIUM;

BARIUM DOPED CLATHRATE; CONDUCTION BAND; ELECTRONEGATIVITY; LOCAL DENSITY APPROXIMATION; SODIUM DOPED CLATHRATE;

IODINE COMPOUNDS;

EID: 37649029857 PISSN: 00319007 EISSN: None Source Type: Journal
DOI: None Document Type: Article

Times cited : (75)

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