Growth and physical properties of Ce(O,F)Sb(S,Se)2 single crystals with site-selected chalcogen atoms

TL;DR

This study reports the successful growth and characterization of Ce(O,F)Sb(S,Se)2 single crystals, revealing their structure, site-selective chalcogen occupation, valence state, insulating behavior, and magnetic ordering.

Contribution

It introduces a new method for growing Ce(O,F)Sb(S,Se)2 single crystals with site-selective chalcogen atoms and detailed structural analysis.

Findings

Crystals are monoclinic with P21/m space group.

Sb-SSe layers include selective Se occupation.

Crystals exhibit insulating behavior and magnetic order around 6 K.

Abstract

Ce(O,F)Sb(S,Se)2 single crystals were successfully grown using a CsCl/KCl flux method. The obtained crystals have a plate-like shape with the typical size of 1-2 mm and well-developed ab-plane, which enables X-ray single crystal structural analysis. The Ce(O,F)Sb(S,Se)2 crystallizes in a monoclinic space group, P21/m, with lattice parameters of a = 4.121(7) A, b = 4.109(7) A, c = 13.233(15) A, beta = 97.94(7) deg. It is composed of alternate stacking of Ce-(O,F) and Sb-SSe layers, and the Sb-SSe layer includes selective occupation of Se atoms in its in-plane site. The valence state of Ce is estimated to be Ce3+ by X-ray absorption fine spectroscopy analysis. The single crystals show an insulating behavior, and a magnetic ordering around 6 K.