Magnetic coupling and long-range order in the spin–chain sulfide Ba2CoS3

Abstract

In this paper, we report on the magnetic properties of Ba₂CoS₃, a spin–chain compound recently found to be the first Co²⁺-containing one-dimensional sulfide to show metallic-like conductivity and negative magnetoresistance. We carried out an in-depth experimental investigation of the local structure of the cobalt atoms, and ab initio calculations of the resulting electronic configuration of Co²⁺. From theoretical considerations, the intra-chain coupling was predicted to be antiferromagnetic. Experimentally, several estimates of this magnetic coupling were derived by analysing the temperature dependence of the magnetic susceptibility. Magnetic and heat capacity measurements also provided evidence of a three-dimensional antiferromagnetic ordering, a feature indicative of a noticeable inter-chain coupling in this quasi-1D system.