Anisotropic Optic Conductivities due to Spin and Orbital Orderings in LaVO3 and YVO3: First-Principles Studies

Abstract

The anisotropy of low energy (0$\sim$5eV) optical excitations in strongly correlated transition-metal oxides is closely related to the spin and orbital orderings. The recent successes of LDA+$U$ method in describing the magnetic and electronic structures enable us to calculate the optical conductivity from first-principles. The LaVO${}_3$ and YVO${}_3$, both of which have $3d^2$ configuration and have various spin and orbital ordered phases at low temperature, show distinct anisotropy in the optical spectra. The effects of spin and orbital ordering on the anisotropy are studied in detail based on our first-principles calculations. The experimental spectra of both compounds at low temperature phases can be qualitatively explained with our calculations, while the studies for the intermediate temperature phase of YVO${}_3$ suggest the substantial persistence of the low temperature phase at elevated temperature.

arXiv comment6 pages, 3 figures, accepted by PRB

References in corpus (4)

• Large-q asymptotics of the random bond Potts model
• Interplay between orbital ordering and lattice distortions in LaMnO3, YVO3, and YTiO3
• Transition between orbital orderings in YVO3
• Anisotropy of Mott-Hubbard gap transitions due to spin and orbital ordering in LaVO3 and YVO3

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