Role of hybridization in NaxCoO2 and the effect of hydration

Physical Review Letters

Volumn 92, Issue 19, 2004, Pages

  Marianetti, C A ^a   Kotliar, G ^b   Ceder, G ^a  

^a USA   (United States)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; COBALT; COMPUTER SIMULATION; CRYSTALLIZATION; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GROUND STATE; HAMILTONIANS; HYDRATION; PROBABILITY DENSITY FUNCTION; SODIUM; TRANSPORT PROPERTIES;

COULOMB INTERACTIONS; DENSITY OF STATES (DOS); LOCAL DENSITY APPROXIMATION (LDA); VIENNA AB INITIO SIMULATION PACKAGE (VASP);

SODIUM COMPOUNDS;

EID: 3042565482     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.196405     Document Type: Article

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