Analysis of paramagnetic 3d ions (Cr3+ and Fe3+) centers in fluoroelpasolite Cs2NaGaF6 crystal by both DFT and SPM calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference36 articles.
1. Quantum chemical study of the lanthanide bond length contraction on Ln3+-doped Cs2NaYCl6 crystals (Ln=Ce to Lu)
2. Ab initio model potential embedded cluster study of the structure and spectroscopy of V3+-doped elpasolites K2NaScF6, Cs2NaYCl6 and Cs2NaYBr6
3. Pressure effects on CrCl63− embedded in cubic Cs2NaMCl6 (M=Sc,Y) lattices: Study through periodic and cluster calculations
4. Electron paramagnetic resonance spectroscopy of Cr 3+ in hexagonal Cs 2 NaGaF 6 crystals
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3. DFT and semi-empirical analyses of Cr3+ and Fe3+ impurity centers in Cs2NaYF6: Microscopic insight into structural properties;Polyhedron;2019-11
4. Microscopic insight into electronic and structural properties of Cr3+ and Fe3+ impurities in Cs2NaAlF6 via DFT and SPM analyses;Journal of Fluorine Chemistry;2019-10
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