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arXiv · 2311.04814

Linear dichroic x-ray absorption response of Ti-Ti dimers along the $c$ axis in Ti$_2$O$_3$ upon Mg substitution

M. Okawa·D. Takegami·D. S. Christovam·M. Ferreira-Carvalho·C. -Y. Kuo·C. T. Chen·T. Miyoshino·K. Takasu·T. Okuda·C. F. Chang·L. H. Tjeng·T. Mizokawa
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Abstract

Corundum oxide Ti$_2$O$_3$ shows the metal-insulator transition around 400-600 K accompanying the nearest Ti$^{3+}$-Ti$^{3+}$ bond ($a_{1g}a_{1g}$ singlet state) formation along the $c$ axis. In order to clarify the hole-doping effect for the $a_{1g}a_{1g}$ singlet bond in Ti$_2$O$_3$, we investigated Ti $3d$ orbital anisotropy between corundum-type Ti$_2$O$_3$ and ilmenite-type MgTiO$_3$ using linear dichroism of soft x-ray absorption spectroscopy of the Ti $L_{2,3}$ edge. From the linear dichroic spectral weight in Mg$_y$Ti$_{2-y}$O$_3$, we confirmed that the $a_{1g}a_{1g}$ state is dominant not only in $y=0.01$ (almost Ti$_2$O$_3$), but also in $y = 0.29$, indicating that the Ti-Ti bond survives against a certain level of hole doping. In $y=0.63$ corresponding to 46% hole doping per Ti, the $3d$ orbital symmetry changes from $a_{1g}$ to $e_g^{\pi}$.

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M. Okawa, D. Takegami, D. S. Christovam, M. Ferreira-Carvalho, C. -Y. Kuo, C. T. Chen, T. Miyoshino, K. Takasu, T. Okuda, C. F. Chang, L. H. Tjeng, T. Mizokawa. 2023-11-08. Linear dichroic x-ray absorption response of Ti-Ti dimers along the $c$ axis in Ti$_2$O$_3$ upon Mg substitution. https://doi.org/10.1103/physrevb.108.195108

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