Mott insulator behavior in the yttrium-based antimoniate oxide Ba2YSbO6

A careful experimental and theoretical study of the double perovskite type material Ba2YSbO6 is reported. The results show that this yttrium-based antimoniate oxide crystallizes in a cubic structure, Fm3¯m (#225) space group, with evidence of the cationic ordering that characterizes a rocksalt super...

Full description

Saved in:
Bibliographic Details
Published in:Journal of materials research and technology 2019-09, Vol.8 (5), p.3978-3987
Main Authors: Grisales Cerón, J.A., Arbey Rodríguez, J., Rosales-Rivera, A., Salazar H., N.A., Cuervo Farfán, J.A., Cardona Vasquez, J.A., Landínez Téllez, D.A., Roa-Rojas, J.
Format: Article
Language:English
Subjects:
Antimoniate yttrium-based perovskite
Electronic structure
Magnetic response
Optical band gap
Structural characterization
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A careful experimental and theoretical study of the double perovskite type material Ba2YSbO6 is reported. The results show that this yttrium-based antimoniate oxide crystallizes in a cubic structure, Fm3¯m (#225) space group, with evidence of the cationic ordering that characterizes a rocksalt superstructure, and tolerance factor slightly less than the unit (τ = 0.9791) due to the size differences between the Y-O6 and Sb-O6 octahedrons. The magnetic response shows weak ferromagnetic effects for the temperature values studied (50, 200 and 300 K), with evidence of an antiferromagnetic reentrance at T = 118 K under the application of low magnetic fields, which is attributed to the presence of polar ordering, accompanied by octahedral distortions caused by the movement of the cations Y3+ and Sb5+, whose effects are no longer observed in the presence of a fairly high external magnetic field (of the Tesla order). The results of the optical characterization by diffuse reflectance suggest the occurrence of a band gap Eg = 4.61 eV, which is characteristic of an insulating material. The electronic structure calculations corroborate the insulating nature of the Ba2YSBO6 complex perovskite. The results allow classifying this material as a Mott insulator, in which the occurrence of intra-site spin-exchange facilitates unpaired spins to the 4d-t2g Yttrium states, mediated by the 2p Oxygen orbitals and 5p Antimony orbitals, resulting in the ferromagnetic character of the insulating material.
ISSN:2238-7854
DOI:10.1016/j.jmrt.2019.07.006