Modulated crystal structure of the atypical charge density wave state of single-crystal Lu2Ir3Si5

Abstract

The three-dimensional charge density wave (CDW) compound ${\mathrm{Lu}}_{2}{\mathrm{Ir}}_{3}{\mathrm{Si}}_{5}$ undergoes a first-order CDW phase transition at around 200 K. An atypical CDW state is found, that is characterized by an incommensurate CDW with $\mathbf{q}=[0.2499(3),0.4843(4),0.2386(2)]$ at 60 K, and a large orthorhombic-to-triclinic lattice distortion with $\ensuremath{\beta}=91.945{(2)}^{\ensuremath{\circ}}$. We present the modulated crystal structure of the incommensurate CDW state. Structural analysis shows that the CDW resides on the zigzag chains of iridium atoms along $\mathbf{c}$. The structural distortions are completely similar between nonmagnetic ${\mathrm{Lu}}_{2}{\mathrm{Ir}}_{3}{\mathrm{Si}}_{5}$ and previously studied isostructural magnetic ${\mathrm{Er}}_{2}{\mathrm{Ir}}_{3}{\mathrm{Si}}_{5}$ with the small differences explained by the different values of the atomic radii of Lu and Er. Such a similarity is unique to ${R}_{2}{\mathrm{Ir}}_{3}{\mathrm{Si}}_{5}$ $(R=\mathrm{rare}\phantom{\rule{0.28em}{0ex}}\mathrm{earth})$. It differs from, for example, the rare-earth CDW compounds ${R}_{5}{\mathrm{Ir}}_{4}{\mathrm{Si}}_{10}$ for which ${\mathrm{Lu}}_{5}{\mathrm{Ir}}_{4}{\mathrm{Si}}_{10}$ and ${\mathrm{Er}}_{5}{\mathrm{Ir}}_{4}{\mathrm{Si}}_{10}$ possess entirely different CDW states. We argue that the mechanism of CDW formation, thus, is different for ${R}_{2}{\mathrm{Ir}}_{3}{\mathrm{Si}}_{5}$ and ${R}_{5}{\mathrm{Ir}}_{4}{\mathrm{Si}}_{10}$.