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Volumn 22, Issue 37, 2012, Pages 19888-19897
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Antisite defects in Ce-doped YAG (Y 3Al 5O 12): First-principles study on structures and 4f-5d transitions
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Author keywords
[No Author keywords available]
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Indexed keywords
4F-5D TRANSITION;
ANTI-SITE DEFECT;
BLUESHIFTS;
COMPLETE ACTIVE SPACE;
DENSITY FUNCTIONALS;
ELECTRONIC EFFECTS;
EMBEDDED CLUSTERS;
FIRST-PRINCIPLES CALCULATION;
FIRST-PRINCIPLES STUDY;
LIGAND-FIELD;
SECOND ORDER PERTURBATION THEORY;
SITE EXCHANGE;
STRUCTURAL CHANGE;
UNIT CELLS;
YAG;
ZERO-PHONON LINE;
ALUMINUM;
CALCULATIONS;
CERIUM;
DENSITY FUNCTIONAL THEORY;
YTTRIUM;
POINT DEFECTS;
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EID: 84865725655
PISSN: 09599428
EISSN: 13645501
Source Type: Journal
DOI: 10.1039/c2jm34479c Document Type: Article |
Times cited : (42)
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References (55)
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