Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6

TL;DR

This study investigates the magnetic and electronic properties of Sr2ScOsO6, revealing a high-temperature antiferromagnetic transition and a reduced Os magnetic moment due to hybridization and spin-orbit effects.

Contribution

It provides detailed experimental and theoretical insights into the magnetic structure and electronic configuration of the 5d3 double perovskite Sr2ScOsO6, highlighting the role of hybridization and spin-orbit coupling.

Findings

Antiferromagnetic transition at 92K, one of the highest for similar compounds.

Os magnetic moment is 1.6 μB, about half the expected spin-only value.

Strong Os-O hybridization and spin-orbit coupling influence the magnetic moment.

Abstract

The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Density functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.