Structural, magnetic, electronic, defect, and diffusion properties of Cr2O3: A DFT+ U study

Journal of Physical Chemistry C

Volumn 118, Issue 31, 2014, Pages 18133-18145

  Lebreau, François ^a   Islam, Mazharul M ^a   Diawara, Boubakar ^a   Marcus, Philippe ^a  

^a PSL RESEARCH UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ATOMS; DIFFUSION; ELECTRONIC PROPERTIES; FILM GROWTH; FINITE DIFFERENCE METHOD; MAGNETIC MOMENTS; POINT DEFECTS; POSITIVE IONS; QUANTUM CHEMISTRY; VACANCIES;

DEFECT FORMATION ENERGIES; DEFECTIVE STRUCTURES; DIFFUSION PROPERTIES; PREEXPONENTIAL FACTOR; QUANTUM-CHEMICAL METHODS; SECOND-NEAREST-NEIGHBOR; STABILITY OF DEFECTS; TRANSITION STATE THEORIES;

CHROMIUM;

EID: 84905851868     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5039943     Document Type: Article

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