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Structural, electronic, and magneto-optical properties of YVO$_3$

A. A. Tsvetkov·F. P. Mena·P. H. M. van Loosdrecht·D. van der Marel·Y. Ren·A. A. Nugroho·A. A. Menovsky·I. S. Elfimov·G. A. Sawatzky
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Abstract

Optical and magneto-optical properties of YVO$_3$ single crystal were studied in FIR, visible, and UV regions. Two structural phase transitions at 75 K and 200 K were observed and established to be of the first and second order, respectively. The lattice has an orthorhombic $Pbnm$ symmetry both above 200 K as well as below 75 K, and is found to be dimerized monoclinic $Pb11$ in between. We identify YVO$_3$ as a Mott-Hubbard insulator with the optical gap of 1.6 eV. The electronic excitations in the visible spectrum are determined by three $d$-bands at 1.8, 2.4, and 3.3 eV, followed by the charge-transfer transitions at about 4 eV. The observed structure is in good agreement with LSDA+$U$ band structure calculations. By using ligand field considerations, we assigned these bands to the transitions to the $^4A_{2g}$, $^2E_{g} + ^2T_{1g}$, and $^2T_{2g}$ states. The strong temperature dependence of these bands is in agreement with the formation of orbital order. Despite the small net magnetic moment of 0.01 $μ_B$ per vanadium, the Kerr effect of the order of $0.01^\circ$ was observed for all three $d$-bands in the magnetically ordered phase $T_{\text{Néel}}<116 K$. A surprisingly strong enhancement of the Kerr effect was found below 75 K, reaching a maximum of $0.1^\circ$. The effect is ascribed to the non-vanishing net orbital magnetic moment.

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A. A. Tsvetkov, F. P. Mena, P. H. M. van Loosdrecht, D. van der Marel, Y. Ren, A. A. Nugroho, A. A. Menovsky, I. S. Elfimov, G. A. Sawatzky. 2003-08-12. Structural, electronic, and magneto-optical properties of YVO$_3$. https://doi.org/10.1103/physrevb.69.075110

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