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000885417 1001_ $$0P:(DE-Juel1)176544$$aZhang, Xue-Jing$$b0$$ufzj
000885417 245__ $$aOrigin of orbital ordering in YTiO 3 and LaTiO 3
000885417 260__ $$aWoodbury, NY$$c2020
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000885417 520__ $$aThe origin of orbital order in correlated transition-metal compounds is strongly debated. For the paradigmatic $e_g$ systems $KCuF_3$ and $LaMnO_3$, it has been shown that the electronic Kugel'-Khomskii mechanism alone is not sufficient to drive the orbital-ordering transition up to the high temperatures at which it is experimentally observed. In the case of $t_{2g}$ compounds, however, the role played by the superexchange interaction remains unclear. Here we investigate this question for two representative systems, the $3dt^1_{2g}$ Mott insulators $LaTiO_3$ and $YTiO_3$. We show that the Kugel'-Khomskii superexchange transition temperature $T_{KK}$ is unexpectedly large, comparable to the value for the $e^3_g$ fluoride $KCuF_3$. By deriving the general form of the orbital superexchange Hamiltonian for the $t^1_{2g}$ configuration, we show that the $GdFeO_3$-type distortion plays a key part in enhancing $T_{KK}$ to about 300 K. Still, orbital ordering above 300 K can be ascribed only to the presence of a static crystal-field splitting.
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000885417 536__ $$0G:(DE-Juel1)jiff46_20191101$$aCharge-transfer effects in multi-orbital correlated systems (jiff46_20191101)$$cjiff46_20191101$$fCharge-transfer effects in multi-orbital correlated systems$$x2
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000885417 7001_ $$0P:(DE-Juel1)130763$$aKoch, Erik$$b1$$eCorresponding author$$ufzj
000885417 7001_ $$0P:(DE-Juel1)130881$$aPavarini, Eva$$b2$$ufzj
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