The theoretical study for the perovskite-type manganese fluorides of KMnF3, RbMnF3 and K1-xLixMnF3

Polyhedron

Volumn 28, Issue 9-10, 2009, Pages 1792-1795

  Onishi, Taku ^a  

^a MIE UNIVERSITY   (Japan)

Author keywords

Effective exchange integral; Hybrid DFT; KMnF3; Lithium ion conduction; RbMnF3

Indexed keywords

DENSITY FUNCTIONAL THEORY; ION EXCHANGE; LITHIUM; MANGANESE COMPOUNDS; PEROVSKITE; POSITIVE IONS; RUBIDIUM COMPOUNDS;

COUNTER CATIONS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; EFFECTIVE EXCHANGE INTEGRALS; HARTREE-FOCK EXCHANGES; HYBRID DENSITY FUNCTIONAL THEORY; LITHIUM ION CONDUCTION; PEROVSKITE TYPE; STERIC REPULSIONS; THEORETICAL STUDY; TOTAL ENERGY;

FLUORINE COMPOUNDS;

EID: 67349190499     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2008.12.009     Document Type: Article

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