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MAROJ BHARATI1, VIKRAM SINGH1, RAM KRIPAL2,*
Crystal field (CF) parameters and zero field splitting (ZFS) parameters of Mn2+ doped β-Ga2O3 single crystals are obtained using the superposition model (SPM) and perturbation theory. The determined ZFS parameters show good agreement with the experimental values suggesting that the Mn2+ ion substitutes at Ga 3+ site in β-Ga2O3 single crystal. The CF energy levels of the Mn2+ ion computed by diagonalizing the complete Hamiltonian are in reasonable agreement with the experimental values. The approach used may be applied for the modeling of other ion-host systems to explore the crystals for scientific and industrial applications.
Inorganic compounds, Single Crystal, Crystal structure and symmetry, Crystal and ligand fields, Optical properties, Electron paramagnetic resonance.
MAROJ BHARATI, VIKRAM SINGH, RAM KRIPAL, Modeling of crystal field and zero field splitting parameters of Mn2+ doped β-Ga2O3 single crystal, Optoelectronics and Advanced Materials - Rapid Communications, 18, 7-8, July-August 2024, pp.383-388 (2024).
Submitted at: Oct. 17, 2023
Accepted at: Aug. 1, 2024
Optoelectronics and Advanced Materials - Rapid Communications
(2023): 0.5 - 2023 Journal Citation Reports (Clarivate Analytics, 2024)
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