Ab initio guided minimal model for the "Kitaev" material BaCo${}_2$(AsO${}_4$)${}_2$: Importance of direct hopping, third-neighbor exchange and quantum fluctuations

Pavel A. Maksimov, Alexey V. Ushakov, Zlata V. Pchelkina +3

By considering two {\it ab initio}-based complementary approaches, we analyze the electronic structure and extract effective spin models of BaCo${}_2$(AsO${}_4$)${}_2$, a honeycomb mater…