Lattice-form dependent orbital shape and charge disproportionation in charge- and orbital-ordered manganites

TL;DR

This study investigates how lattice structure influences orbital shapes and charge disproportionation in charge- and orbital-ordered manganites, revealing that these properties depend on the dimensionality of the Mn-O network.

Contribution

It provides new insights into the dependence of orbital shape and charge disproportionation on lattice dimensionality in manganites.

Findings

Orbital shapes differ between single-layer and layered systems.

Charge disproportionation is absent in single-layer but present in layered systems.

Orbital shape changes with thermal rotation of orbital stripes in layered manganites.

Abstract

The orbital shapes and charge disproportionations at nominal Mn$^{3+}$ and Mn$^{4+}$ sites for the charge- and orbital-ordered phases have been studied on half-doped manganites Pr(Sr$_{0.1}$Ca$_{0.9}$)$_2$Mn$_2$O$_7$ and Eu$_{0.5}$Ca$_{1.5}$MnO$_4$ with double-layer and single-layer Mn-O networks, respectively, by means of x-ray structural analyses, in comparison with Pr$_{0.5}$Ca$_{0.5}$MnO$_3$ with the pseudo cubic network. In a single-layer Eu$_{0.5}$Ca$_{1.5}$MnO$_4$ system, the ($y^2-z^2$)/($z^2-x^2$)-type orbital shape is observed, while the ($3y^2-r^2$)/($3x^2-r^2$)-type orbital shape in a pseudo cubic Pr$_{0.5}$Ca$_{0.5}$MnO$_3$ system. In a double-layer Pr(Sr$_{0.1}$Ca$_{0.9}$)$_2$Mn$_2$O$_7$ system, the orbital shape is found to undergo a large change upon thermally induced rotation of orbital stripe. Furthermore, clear charge disproportionation is observed for the pseudo cubic and double-layer systems, while not in the single-layer system. These results indicate that the orbital shape and charge disproportionation are sensitive to the dimension of Mn-O network.