Crystal growth and structural analysis of perovskite chalcogenide BaZrS${}_3$ and Ruddlesden-Popper phase Ba${}_3$Zr${}_2$S${}_7$

Abstract

Perovskite chalcogenides are gaining substantial interest as an emerging class of semiconductors for optoelectronic applications. High quality samples are of vital importance to examine their inherent physical properties. We report the successful crystal growth of the model system, BaZrS${}_3$ and its Ruddlesden-Popper phase Ba${}_3$Zr${}_2$S${}_7$ by flux method. X-ray diffraction analyses showed space group of $Pnma$ with lattice constants of $a$ = 7.056(3) Å\/, $b$ = 9.962(4) Å\/, $c$ = 6.996(3) Å\/ for BaZrS${}_3$ and $P{4}_2/mnm$ with $a$ = 7.071(2) Å\/, $b$ = 7.071(2) Å\/, $c$ = 25.418(5) Å\/ for Ba${}_3$Zr${}_2$S${}_7$. Rocking curves with full-width-at-half-maximum of 0.011${}^{\circ }$ for BaZrS${}_3$ and 0.027${}^{\circ }$ for Ba${}_3$Zr${}_2$S${}_7$ were observed. Pole figure analysis, scanning transmission electron microscopy images and electron diffraction patterns also establish high quality of grown crystals. The octahedra tilting in the corner-sharing octahedra network are analyzed by extracting the torsion angles.

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Cited by in corpus (6)

• Discovery of highly-polarizable semiconductors BaZrS3 and Ba3Zr2S7
• Ultralow lattice thermal transport and considerable wave-like phonon tunneling in chalcogenide perovskite BaZrS${}_3$
• Molten flux growth of single crystals of quasi-1D hexagonal chalcogenide BaTiS3
• A Polymeric Planarization Strategy for Versatile Multi-terminal Electrical Transport Studies on Small, Bulk Quantum Materials
• Electrical contacts for high performance optoelectronic devices of BaZrS3 single crystals
• Epitaxial Thin Films of a Chalcogenide Perovskite