Crystal field levels and zero-field splitting parameters of Cr²⁺ in the mixed system Rb₂MnₓCr₁₋ₓCl₄

Czeslaw RUDOWICZ, Maolu DU, Yau Yuen YEUNG, Yi-yang ZHOU

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21 Citations (Scopus)

Abstract

The crystal field (CF) energy levels and the fine structure of the orbital ground state as well as the zero-field splitting (ZFS) parameters are investigated for Cr²⁺ in the mixed system Rb₂MnₓCr₁₋ₓCl₄. The CF parameters from the earlier superposition model analysis are used as input for a newly developed computer package to diagonalize the orthorhombic CF and spin-orbit Hamiltonian for two cases, namely, the ⁵D approximation and the ⁵D-³Γᵢ one. The results show that the spin-triplets (³Γᵢ) contributions to the fine structure of the orbital ground state and the ZFS parameters are not negligible, although all ³Γᵢ states lie above the ⁵D states. The theoretical CF levels for different Cr²⁺ concentrations (x) are in good agreement with experimental spectroscopic data. For the axial ZFS parameter b⁰₂, the theoretical result is consistent with the experimental magnetic anisotropy data. A change in the sign of the orthorhombic ZFS parameter b²₂ with Cr²⁺ concentration x increasing from x = 0 to x = 0.01 is predicted. This is consistent with the crystal structure data which indicate a ‘structural phase transition’ with x at low temperatures. EPR studies would help to solve the question of the sign of b²₂ unambiguously. Copyright © 1993 Published by Elsevier B.V.
Original languageEnglish
Pages (from-to)323-333
JournalPhysica B: Condensed Matter
Volume191
Issue number3-4
DOIs
Publication statusPublished - Sep 1993

Citation

Rudowicz, C., Du, M., Yeung, Y. Y., & Zhou, Y.-Y. (1993). Crystal field levels and zero-field splitting parameters of Cr²⁺ in the mixed system Rb₂MnₓCr₁₋ₓCl₄. Physica B: Condensed Matter, 191(3-4), 323-333. doi: 10.1016/0921-4526(93)90092-K

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