The feasibility of tunable p-type Mg doping in a GaN monolayer nano sheet

Based on density functional theory, the electronic structures, formation energy and transition energy level of a p-type Mg-doped GaN nanosheet are investigated. Numerical results show that the transition energy level decreases monotonously with increasing Mg doping concentration in Mg-doped GaN nanosheet systems, which is lower than that of the Mg-doped bulk GaN case. Moreover, the formation energy calculations indicate that Mg-doped GaN nanosheet structures can be realized under N-rich experimental growth conditions. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.