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Volumn 14, Issue 1, 2012, Pages 89-93

Structural, electronic properties and inter-atomic bonding in layered chalcogenide oxides LaMChO (where M = Cu, Ag, and Ch = S, Se) from FLAPW-GGA calculations

(3) Bannikov, V V a Shein, I R a Ivanovskii, A L a

a INSTITUTE OF SOLID STATE CHEMISTRY (Russian Federation)

Author keywords

Ab initio calculations; Electronic; Inter atomic bonding; Layered 1111 like chalcogenide oxides; Properties; Structural

Indexed keywords

AB INITIO CALCULATIONS; ELECTRONIC; INTER-ATOMIC BONDING; PROPERTIES; STRUCTURAL;

ANISOTROPY; ATOMS; CALCULATIONS; CHARGE TRANSFER; COVALENT BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STATES; LANTHANUM; MATERIALS PROPERTIES; PHASE CHANGE MEMORY; SEMICONDUCTING SELENIUM COMPOUNDS; SILVER; STRUCTURAL PROPERTIES;

CRYSTAL ATOMIC STRUCTURE;

EID: 83555168133 PISSN: 12932558 EISSN: None Source Type: Journal
DOI: 10.1016/j.solidstatesciences.2011.10.022 Document Type: Article

Times cited : (25)

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