Orbital-resolved spin-exchange interactions and spin-phonon coupling in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mi>CrVO</mml:mi> <mml:mn>4</mml:mn> </mml:msub> </mml:math>

This report investigates the role of orbital degrees of freedom in <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:msub> <a:mi>CrVO</a:mi> <a:mn>4</a:mn> </a:msub> </a:math> , 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 ( <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>T</b:mi> <b:mi>N</b:mi> </b:msub> </b:math> ). This coupling is linked to conventional magnetoelastic interactions, even active above <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:msub> <c:mi>T</c:mi> <c:mi>N</c:mi> </c:msub> </c:math> , supported by both experimental and theoretical findings. The calculations revealed crystal field splitting and orbital nondegeneracy resulting from charge transfer in the <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:mn>3</d:mn> <d:msup> <d:mrow> <d:mi>d</d:mi> </d:mrow> <d:mn>3</d:mn> </d:msup> </d:mrow> </d:math> system of <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:msub> <e:mi>CrVO</e:mi> <e:mn>4</e:mn> </e:msub> </e:math> 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 ( <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"> <f:mrow> <f:mn>4</f:mn> <f:msub> <f:mi>T</f:mi> <f:mi>N</f:mi> </f:msub> </f:mrow> </f:math> ) in <g:math xmlns:g="http://www.w3.org/1998/Math/MathML"> <g:msub> <g:mi>CrVO</g:mi> <g:mn>4</g:mn> </g:msub> </g:math> , in contrast to earlier studies [A. P. Roy , ]. These findings advance the understanding of the fundamental physics in <h:math xmlns:h="http://www.w3.org/1998/Math/MathML"> <h:msub> <h:mi>CrVO</h:mi> <h:mn>4</h:mn> </h:msub> </h:math> and significantly contribute to the field of spin-orbital-lattice physics in transition metal oxides.