Intersite Coulomb repulsion driven quadrupole instability and magnetic ordering in the orbital frustrated Ba${}_2$MgReO${}_6$

Xuanye Zhang, Jinyu Zou, Gang Xu

We develop an unrestricted Hartree-Fock mean-field method including Coulomb repulsion $U$, $V$ and spin-orbital coupling $\lambda$ self-consistently to investigate the mechanism of struc…