Covalent state and the electronic and transport properties of CaCu 3Ni4O12: A first-principles study

Journal of Physical Chemistry C

Volumn 115, Issue 5, 2011, Pages 2366-2370

  Lv, Shuhui ^a,b   Liu, Xiaojuan ^a   Li, Hongping ^a,b   Han, Deming ^a   Meng, Jian ^a  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CU IONS; EXCHANGE SPLITTING; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; HALF METALS; HALF-METALLIC PROPERTIES; HALF-METALLICITY; ISOSTRUCTURAL COMPOUNDS; LEVEL SHIFT; SPIN GAP; STRUCTURAL DISTORTIONS; STRUCTURE STABILITY; ZHANG-RICE SINGLETS;

ELECTRONIC STRUCTURE; MAGNETIC MOMENTS; TRANSPORT PROPERTIES;

CALCULATIONS;

EID: 79952692784     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp108482c     Document Type: Article

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