Author(s)

ShuQian Wang, ShiJun Xu^*, YuShan Lei, CaiFei Qiao

Affiliation(s)

School of Sciences, Xi'an Technological University, Xi'an 710021, China

Corresponding Author

ShiJun Xu

ABSTRACT

The d-orbital energy level splitting of free Fe2+ ions under electrostatic and spin-orbit interactions leads to d-electron rearrangement and the formation of different energy states, which may result in the occurrence of electron jumps between different energy levels. When Fe2+ is doped with K2FeF4, the combination of electrons in the Fe2+ d-orbitals changes, and accordingly new d-d absorption spectra are generated. In this thesis, from the crystal field theory, the center field approximation method, crystal field matrix meta-algorithm and electron spin-orbit interaction matrix meta-algorithm are used in the study to establish the Hamiltonian quantities of the system and to calculate the fine spectra of the system. Diagonalizing the full energy matrix can yield the Fe2+ d-d absorption spectra, and by analyzing the experimental EPR zero-field splitting (ZFS) parameters Dq, B, C, and Z and combining them with the full energy matrix, the energy values of the Fe2+ energy levels can be derived, and the results of this study show that the theoretical values conform well to the experimental values. My research data can provide some theoretical references for the study of the spectra of crystal doped Fe2+ ions. However, there are also experimental data that have not been derived, and it is expected that they can be supplemented and improved in the future.

KEYWORDS

D-d absorption spectroscopy; EPR parameter; Crystal field theory

CITE THIS PAPER

ShuQian Wang, ShiJun Xu, YuShan Lei, CaiFei Qiao. Study of the absorption spectra of the Fe2+ and K2FeF4 systems. World Journal of Mathematics and Physics. 2024, 2(2): 35-40. DOI: 10.61784/wjmp3004.

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