Local structure and optical absorption of Mn2+ doped Cs2SO4 single crystals

Maroj Bharati; Vikram Singh; Ram Kripal

doi:10.5155/eurjchem.16.3.287-291.2672

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Published: Sep 30, 2025

DOI: https://doi.org/10.5155/eurjchem.16.3.287-291.2672

Keywords:

Crystal fields, Single crystal, Zero-field splitting, Superposition model, Inorganic compounds, Electron paramagnetic resonance

Section

Research Article

Issue

Vol. 16 No. 3 (2025): September 2025

Dates

Received 2025-02-11
Accepted 2025-06-29
Published 2025-09-30

Maroj Bharati

Department of Physics, Faculty of Science, Nehru Gram Bharti University, Jamunipur, Prayagraj-221505, India

https://orcid.org/0009-0007-8219-0993

Vikram Singh

Department of Physics, Faculty of Science, Nehru Gram Bharti University, Jamunipur, Prayagraj-221505, India

https://orcid.org/0000-0003-3813-586X

Ram Kripal

Electron Paramagnetic Resonance Laboratory, Department of Physics, Faculty of Science, University of Allahabad, Prayagraj-211002, India

https://orcid.org/0000-0002-3483-8704

Abstract

Using perturbation theory and the superposition model, the splitting parameters for the zero field of Mn²⁺doped crystals of Cs₂SO₄ are determined. When the local distortion is included in the computation, the estimated parameters match fairly well with the experimental ones. Theoretical evidence corroborates the experimental finding that the Mn²⁺ ion substitutes at the Cs⁺ site in Cs₂SO₄. The crystal's optical spectra are computed by the diagonalization of a complete Hamiltonian in the coupling scheme of the intermediate crystal-field, using the crystal field parameters obtained from the superposition model and the crystal field analysis program. The calculated and experimental band positions agree fairly well. Consequently, the results of the experiment are confirmed by theoretical analysis.

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Bharati, M.; Singh, V.; Kripal, R. Local Structure and Optical Absorption of Mn2+ Doped Cs2SO4 Single Crystals. Eur. J. Chem. 2025, 16, 287-291.

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