Systematic first-principles calculations of charge transfer transitions of trivalent rare earth ions in CaF2
Author:
Funder
MEXT
Publisher
Elsevier BV
Subject
Condensed Matter Physics,Biochemistry,General Chemistry,Atomic and Molecular Physics, and Optics,Biophysics
Reference19 articles.
1. Systematic behaviour in trivalent lanthanide charge transfer energies
2. The Eu3+ charge transfer energy and the relation with the band gap of compounds
3. Ce3+ 5d-centroid shift and vacuum referred 4f-electron binding energies of all lanthanide impurities in 150 different compounds
4. Calculation of multiplet structures ofCr3+andV3+inα−Al2O3based on a hybrid method of density-functional theory and the configuration interaction
5. Relativistic cluster calculation of ligand-field multiplet effects on cationL2,3x-ray-absorption edges ofSrTiO3,NiO, andCaF2
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1. First-Principles Analysis of the Effects of Covalency and Ionicity on the 4f–5d Transition Energy of Ce3+ in Garnet-Type Oxides;ECS Journal of Solid State Science and Technology;2023-07-01
2. Color coordination of emerald on CIE color space based on first-principles calculations;Optical Materials: X;2022-10
3. First-Principles Calculations of Charge Transfer Transitions of Eu3+ in Y2O3 and Y2O2S;ECS Journal of Solid State Science and Technology;2020-07-30
4. First‐Principles Study of Chromium Defects in α ‐Al 2 O 3 : The Origin of Red Color in Ruby;physica status solidi (b);2020-07
5. [INVITED] Improved parameters for the lanthanide 4fq and 4fq−15d curves in HRBE and VRBE schemes that takes the nephelauxetic effect into account;Journal of Luminescence;2020-06
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