A novel and direct method is proposed to assess the doping limits of semiconducting materials. Applied to the case of ZnO, our first-principles calculations demonstrate that p-type ZnO is thermodynamically unstable.
@article{arxiv.1102.0400,
title = {Microscopic Origins of Electron and Hole Stability in ZnO},
author = {C. Richard A. Catlow and Alexey A. Sokol and Aron Walsh},
journal= {arXiv preprint arXiv:1102.0400},
year = {2013}
}