Defect induced rigidity enhancement in layered semiconductors

Abstract

We discuss the mechanism responsible for the observed improvement in the structural properties of In doped GaSe, a layered material of great current interest. Formation energy calculations show that by tuning the Fermi energy, In can substitute for Ga or can go as an interstitial charged defect$(\text{In}_{\text{i}}^{\text{3+}})$. We find that $\text{In}_{\text{i}}^{\text{3+}}$ dramatically increases the shear stiffness of GaSe, explaining the observed enhancement in the rigidity of In doped p-GaSe. The mechanism responsible for rigidity enhancement discussed here is quite general and applicable to a large class of layered solids with weak interlayer bonding.