Local structure modeling of iron doped triglycine sulphate single crystals

Authors

  • M. Bharati Department of Physics, Nehru Gram Bharti (DU)
  • V. Singh Department of Physics, Nehru Gram Bharti (DU)
  • Ram Kripal University of Allahabad

DOI:

https://doi.org/10.31349/RevMexFis.71.010501

Keywords:

Organic compounds; single crystal; crystal fields; electron paramagnetic resonance; zero field splitting

Abstract

Zero field splitting parameters of iron doped triglycine sulphate single crystals are evaluated with the help of superposition model and the perturbation theory. These parameters are in reasonable agreement with the experimental values taking local distortion into account. The theoretical result supports the experimental observation that iron occupies interstitial position in triglycine sulphate crystal. Using crystal field analysis program with crystal field parameters from superposition model as input, the optical spectra of the system are computed. A reasonable match between the computed and experimental energy values is obtained. Thus the theoretical investigation supports the experimental conclusion. The present modeling approach may be useful in other ion-host systems to explore crystals for technological and industrial applications.

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Published

2025-01-01

How to Cite

[1]
M. Bharati, V. Singh, and R. Kripal, “Local structure modeling of iron doped triglycine sulphate single crystals ”, Rev. Mex. Fís., vol. 71, no. 1 Jan-Feb, pp. 010501 1–, Jan. 2025.

Issue

Vol. 71 No. 1 Jan-Feb (2025): Revista Mexicana de Física

Section

05 Condensed Matter

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Copyright (c) 2025 M. Bharati, V. Singh, Ram Kripal

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