Co-existence of charge density wave and anti-ferromagnetic coupling in the spin-chain compound Ba${}_6$Cr${}_2$S${}_{10}$

Jianhua Zhu, Jianfeng Zhang, Yilin Zhang +6

Here we have performed detailed first principles calculations for the electronic structure and magnetic properties of Ba${}_6$Cr${}_2$S${}_{10}$ to study the origin of the anti-ferromagn…