Ab initio approach of the hydrogen insertion effects on the magnetic properties of $\mathbf{ScF}{\mathbf{e}}_2$

A. F. Al Alam, S. F. Matar, N. Ouaini +1

The electronic and magnetic structures of $\mathrm{ScF}{\mathrm{e}}_2$ and of its dihydride $\mathrm{ScF}{\mathrm{e}}_2{\mathrm{H}}_2$ are self-consistently calculated within the density functional theory (DFT) usin…