Year: 2025
Type: article
Abstract: ABSTRACT Utilizing perturbation theory and the superposition model, the zero field splitting parameters for the Mn 2+ intoxicated crystals of YPO 4 are obtained. Considering local distortion in the calculation, the evaluated parameters fairly match the experimental ones. Theoretical evidence corroborates the experimental inference that the Mn 2+ ion substitutes at the Y 3+ site in YPO 4 . The crystal's optical spectra are calculated by diagonalizing the total Hamiltonian in the coupling scheme for the intermediate crystal field, using the crystal field parameters determined from the superposition model and the crystal field analysis program. The calculated and experimental band positions match fairly well. Consequently, the experimental results are confirmed by the theoretical analysis.
Source: Magnetic Resonance in Chemistry
DOI: 10.1002/mrc.70023
Authors: Maroj Bharati, Vikram Singh, Ram Kripal
Institution: University of Allahabad
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W4413113077