A combinatorial study of full heusler alloys by first-principles computational methods

Journal of Computational Chemistry

Volumn 30, Issue 8, 2009, Pages 1290-1299

  Gilleßen, Michael ^a   Dronskowski, Richard ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Combinatorial chemistry; Density functional theory; Ferromagnetism; Heusler alloys

Indexed keywords

COMBINATORIAL CHEMISTRY; COMBINATORIAL STUDIES; ELECTRON CONCENTRATION; FIRST-PRINCIPLES; FULL HEUSLER ALLOY; HEUSLER ALLOYS; LATTICE PARAMETERS; PERIODIC SYSTEM; PLANE WAVE; PSEUDOPOTENTIALS; TOTAL-ENERGY CALCULATIONS;

ALLOYS; BIOASSAY; BIOCHIPS; ELECTRONIC STRUCTURE; FERROMAGNETISM; MAGNETIC MOMENTS; METASTABLE PHASES; RHODIUM; SOLID STATE PHYSICS; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

ALLOY;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; MAGNETISM;

ALLOYS; COMPUTER SIMULATION; MAGNETICS; MODELS, CHEMICAL;

EID: 66449125867     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21152     Document Type: Article

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