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Signatures of spin-orbital states of t 2 g 2 system in optical conductivity: R VO 3 ( R = Y and La)

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We investigate signatures of spin and orbital states of $R$VO$_{3}$ ($R$=Y and La) in the optical conductivity using density functional theory plus dynamical mean-field theory (DFT+DMFT). From the assignment of… Click to show full abstract

We investigate signatures of spin and orbital states of $R$VO$_{3}$ ($R$=Y and La) in the optical conductivity using density functional theory plus dynamical mean-field theory (DFT+DMFT). From the assignment of multiplet states to optical transitions, DFT+DMFT reproduces experimental temperature dependent evolutions of optical conductivity for both YVO$_{3}$ and LaVO$_{3}$. We also show that the optical conductivity is a useful quantity to probe the evolution of the orbital state even in the absence of spin order. The result provides a reference to investigate spin and orbital states of ${t_{2g}}^{2}$ vanadate systems which is an important issue for both fundamental physics on spin and orbital states and applications of vanadates by means of orbital state control.

Keywords: optical conductivity; orbital states; signatures spin; spin orbital; states system

Journal Title: Physical Review B
Year Published: 2018

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