Mechanism for self-compensation in heavily carbon doped GaN

Abstract

Heavy carbon (C) doping is of great significance for semi-insulating GaN in power electronics. However, the doping behaviors, especially the atomic configurations and related self-compensation mechanisms, are still under debate. Here, with the formation energy as the input parameter, the concentrations of C defects with different atomic configurations are calculated by taking the configurational entropy into account. The result shows that the concentrations of tri-carbon complexes (CNCiCN, where Ci refers to interstitial carbon) and dicarbon complexes (CNCGa) cannot be neglected under heavy doping conditions. The concentration of CNCiCN can even exceed that of CN at sufficiently high doping levels. Especially, we suggest that it is the tri-carbon complex CNCiCN, instead of the commonly expected CGa, that acts as the self-compensation centers in semi-insulating GaN under heavy C doping conditions. The results provide a fresh look on the long-standing problem about the self-compensation mechanisms in C doped GaN.