DFT calculation of russell-saunders splitting for lanthanide ions doped in hexagonal (β)-NaYF4 nanocrystals

Journal of Physical Chemistry C

Volumn 117, Issue 33, 2013, Pages 17177-17185

  Yao, Ge ^a   Berry, Mary T ^a   May, P Stanley ^a   Kilin, Dmitri ^a  

^a UNIVERSITY OF SOUTH DAKOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY DIFFERENCES; GEOMETRY OPTIMIZATION; LANTHANIDE CONTRACTION; OPTIMIZED GEOMETRIES; ORBITAL ANGULAR MOMENTUM; SPIN-ORBIT COUPLINGS; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; TRIVALENT LANTHANIDE IONS;

ANGULAR MOMENTUM; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; ELECTROSPINNING; NANOCRYSTALS; RARE EARTH ELEMENTS;

IONS;

EID: 84883153602     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp404206e     Document Type: Article

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