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| Home > Publications database > Origin of orbital ordering in YTiO 3 and LaTiO 3 > print |
| 001 | 885417 | ||
| 005 | 20240625095032.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevB.102.035113 |2 doi |
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| 100 | 1 | _ | |a Zhang, Xue-Jing |0 P:(DE-Juel1)176544 |b 0 |u fzj |
| 245 | _ | _ | |a Origin of orbital ordering in YTiO 3 and LaTiO 3 |
| 260 | _ | _ | |a Woodbury, NY |c 2020 |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a The 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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| 536 | _ | _ | |a Charge-transfer effects in multi-orbital correlated systems (jiff46_20191101) |0 G:(DE-Juel1)jiff46_20191101 |c jiff46_20191101 |f Charge-transfer effects in multi-orbital correlated systems |x 2 |
| 542 | _ | _ | |i 2020-07-06 |2 Crossref |u https://link.aps.org/licenses/aps-default-license |
| 588 | _ | _ | |a Dataset connected to CrossRef |
| 700 | 1 | _ | |a Koch, Erik |0 P:(DE-Juel1)130763 |b 1 |e Corresponding author |u fzj |
| 700 | 1 | _ | |a Pavarini, Eva |0 P:(DE-Juel1)130881 |b 2 |u fzj |
| 773 | 1 | 8 | |a 10.1103/physrevb.102.035113 |b American Physical Society (APS) |d 2020-07-06 |n 3 |p 035113 |3 journal-article |2 Crossref |t Physical Review B |v 102 |y 2020 |x 2469-9950 |
| 773 | _ | _ | |a 10.1103/PhysRevB.102.035113 |g Vol. 102, no. 3, p. 035113 |0 PERI:(DE-600)2844160-6 |n 3 |p 035113 |t Physical review / B |v 102 |y 2020 |x 2469-9950 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/885417/files/PhysRevB.102.035113.pdf |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/885417/files/oot2g.pdf |y OpenAccess |
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