First principles study of 3d transition metal doped Cu 3N

Journal of Magnetism and Magnetic Materials

Volumn 324, Issue 19, 2012, Pages 3138-3143

  Cui, X Y ^a   Soon, A ^a,b   Phillips, A E ^a   Zheng, R K ^a   Liu, Z W ^a   Delley, B ^c   Ringer, S P ^a   Stampfl, C ^a  

^a UNIVERSITY OF SYDNEY   (Australia)

^b Yonsei University   (South Korea)

^c PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

Density functional theory; Formation energy; Magnetism

Indexed keywords

3D TRANSITION METALS; ANTIFERROMAGNETICS; BRITTLE STRUCTURES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DOPING CONCENTRATION; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; GENERALIZED GRADIENT APPROXIMATIONS; MAGNETO-VOLUME EFFECTS; MECHANICALLY STABLE; MODEL SYSTEM; NONMAGNETICS; SEMICONDUCTOR-TO-METAL TRANSITIONS; SYSTEMATIC STUDY; TM-DOPED; WIDE SPECTRUM;

ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; ATOMS; CHROMIUM; DENSITY FUNCTIONAL THEORY; MAGNETIC PROPERTIES; MAGNETISM; MANGANESE; PALLADIUM; SEMICONDUCTOR DOPING; ZINC;

SCANDIUM;

EID: 84862636802     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2012.05.021     Document Type: Article

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