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(Ini3+). We find that Ini3+ 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.
@article{arxiv.0906.4495,
title = {Defect induced rigidity enhancement in layered semiconductors},
author = {Zs. Rak and S. D. Mahanti and K. C. Mandal and N. C. Fernelius},
journal= {arXiv preprint arXiv:0906.4495},
year = {2015}
}