Orbital-resolved spin-exchange interactions and spin-phonon coupling in CrVO 4

Le résumé fourni par la source

This report investigates the role of orbital degrees of freedom in CrVO 4 , focusing on orbital-driven spin-exchange interactions and spin-phonon coupling through both experiments and first-principles calculations. Combining synchrotron radiation x-ray powder diffraction, Raman spectroscopy, and x-ray absorption fine structure measurements, a significant correlation between magnetic transition and structural modification was identified, revealing spin-lattice coupling at the transition ( T N ). This coupling is linked to conventional magnetoelastic interactions, even active above T N , supported by both experimental and theoretical findings. The calculations revealed crystal field splitting and orbital nondegeneracy resulting from charge transfer in the 3 d 3 system of CrVO 4 due to octahedral symmetry breaking. The study discusses the detailed mechanism of orbital-resolved spin-exchange interactions, leading to one-dimensional A-type antiferromagnetic ordering. Notably, no significant orbital-selective spin-phonon coupling was observed at approximately 200 K ( 4 T N ) in CrVO 4 , in contrast to earlier studies [A. P. Roy , ]. These findings advance the understanding of the fundamental physics in CrVO 4 and significantly contribute to the field of spin-orbital-lattice physics in transition metal oxides.

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