Evidence of Coulomb correction and spinorbit coupling in rare-earth dioxides CeO 2, PrO 2 and TbO 2: An ab initio study

Journal of Magnetism and Magnetic Materials

Volumn 324, Issue 7, 2012, Pages 1397-1405

  Kanoun, Mohammed Benali ^a   Reshak, Ali H ^b,c   Kanoun Bouayed, Nawel ^d   Goumri Said, Souraya ^a  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^b UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^c UNIVERSITY MALAYSIA PERLIS   (Malaysia)

^d UNIVERSITY OF TLEMCEN   (Algeria)

Author keywords

Coulomb correction; DFT; Optical properties; Rare earth oxides; Spin orbit coupling

Indexed keywords

4F-ELECTRONS; AB INITIO STUDY; AUGMENTED PLANE WAVES; COULOMB CORRECTIONS; DFT; DIELECTRIC FUNCTIONS; FERROMAGNETIC INSULATING; GENERALIZED GRADIENT APPROXIMATIONS; HUBBARD; LOCAL ORBITALS; MOMENT CALCULATION; OPTOELECTRONIC PROPERTIES; OXYGEN ATOM; RARE EARTH ATOMS; RARE EARTH OXIDE; RELATIVISTIC EFFECTS; SPIN DENSITIES; SPIN-ORBIT COUPLINGS;

CALCULATIONS; LITHIUM COMPOUNDS; MAGNETIC MOMENTS; MECHANICAL STABILITY;

OPTICAL PROPERTIES;

EID: 84855442338     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2011.11.050     Document Type: Article

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