First-principles investigation of Mg2THy (T=Ni, Co, Fe) complex hydrides

Physica B: Condensed Matter

Volumn 403, Issue 23-24, 2008, Pages 4217-4223

  Zhang, J ^a   Zhou, D W ^a   Peng, P ^a   Liu, J S ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Complex hydrides; Density functional theory; Electronic structure; Stability

Indexed keywords

COBALT; DEHYDROGENATION; ELECTRIC CURRENTS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HYDRIDES; HYDROGEN; MAGNESIUM PRINTING PLATES; NICKEL; NICKEL ALLOYS; SOLID STATE PHYSICS; STABILITY;

BONDING CHARACTERISTICS; BONDING ELECTRONS; CLUSTER MODELS; COHESIVE ENERGIES; COMPLEX HYDRIDES; COVALENT INTERACTIONS; DENSITY OF STATES; LOW ENERGIES; LOWER ENERGIES; PSEUDOPOTENTIAL METHODS; STABILITY PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 56449096140     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2008.09.009     Document Type: Article

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