posted on 2024-12-12, 13:01authored byEmmanuel Lopes, Tome Schmidt
Fig. S1) phonon spectra and ab initio molecular dynamics of free standing monolayers; Table S1) Cohesive and formation energies for free standing and tensile strained systems; Fig. S2) buckling height as a function of tensile strain; Table S2) magnetic properties for 1T-CrSb2 monolayer under Ueff = 4 (eV); Tables S3 and S4) magnetic anisotropy energy as a function of biaxial tensile strain; Fig. S3) total energy difference as function of lattice parameter; Figs. S4 and S5) band structure for distinct biaxial tensile strain values; Fig. S6) evolution of the Wannier charge center for both out-of-plane and in-plane magnetic axis configuration; and Fig. S7) phonon spectra for a negative frequency regime.