Electronic structure and ground-state properties of alkali-metal oxides-Li2O, Na2O, K2O and Rb2O: A first-principles study

Physica B: Condensed Matter

Volumn 396, Issue 1-2, 2007, Pages 124-131

  Eithiraj, R D ^a   Jaiganesh, G ^a   Kalpana, G ^a  

^a ANNA UNIVERSITY   (India)

Author keywords

Alkali metal oxides; Bulk modulus; Electronic structure; TB LMTO

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRONIC STRUCTURE; ENERGY GAP; GROUND STATE; POTASSIUM COMPOUNDS; SODIUM COMPOUNDS;

ALKALI METAL OXIDES; ANTIFLUORITE; DIRECT BAND GAP SEMICONDUCTORS; LINEAR MUFFIN TIN ORBITAL (LMTO);

LITHIUM COMPOUNDS;

EID: 34249303421     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2007.03.024     Document Type: Article

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