Slater-Pauling behavior within quaternary intermetallic borides of the Ti3Co5B2 structure-type

Journal of Solid State Chemistry

Volumn 182, Issue 10, 2009, Pages 2613-2619

  Burghaus, Jens ^a   Dronskowski, Richard ^a   Miller, Gordon J ^b  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b IOWA STATE UNIVERSITY   (United States)

Author keywords

Borides; Chemical bonding; Density functional theory; Intermetallics; Itinerant magnetism

Indexed keywords

3D ELECTRON; BONDING INTERACTIONS; CHEMICAL BONDING; DENSITY-FUNCTIONAL STUDY; ELECTRON COUNT; FIRST-PRINCIPLES; ITINERANT MAGNETISM; MAGNETIC POLARIZATIONS; MAXIMUM MOMENTS; ORBITAL INTERACTION; SATURATION MAGNETIC MOMENTS; SATURATION MOMENT; SLATER-PAULING BEHAVIOR; SPIN STATE; VALENCE ELECTRON;

BORIDES; CHEMICAL BONDS; ELECTROMAGNETS; INTERMETALLICS; MAGNETIC MOMENTS; NIOBIUM; RHODIUM; SCANDIUM; SCANDIUM COMPOUNDS; SPIN DYNAMICS; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 70349733005     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2009.07.017     Document Type: Article

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