Fig. 1
From: Conversation from antiferromagnetic MnBr2 to ferromagnetic Mn3Br8 monolayer with large MAE
a Bulk model of MnBr2 used to calculate the cleavage energy and b the cleavage energy as a function of the separation distance \(d\) between two fractured parts (the equilibrium interlayer distance is set as 0). c Top and side views, d phonon spectrum, e electronic band structure for both spin channels and f projected density of states (PDOS) of Mn-d orbitals and Br-p orbitals for MnBr2 monolayer. Δh represents the vertical distance between two halide planes. The primitive cell is circulated in black dash lines. The Fermi level for band structure and DOS is set as 0 eV