The possibility of N–P codoping to realize P type β-Ga2O3

Abstract For the purpose of improving the P-type properties of β-gallium (III) oxide (β-Ga2O3), we attempted to construct the structure of (nitrogen-phosphorus) N–P co-doped β-Ga2O3, investigating its carrier concentrations and transport properties based on the density functional theory (DFT) and comparing it with the case of N doping and P doping. The results show that the acceptor level after N1–P2 co-doping decreased ~0.8 eV, so that the hole concentration increased owing to the decrease of acceptor ionization energy. In addition, the absolute value of the holes effective mass in [010] crystal direction decreased from 267.38 m 0 to  m 0 after co-doping and decreased to −0.30 m 0 in N1P1Ga2O3. Therefore, the transport properties in valence band were promoted and N1–P2 co-doping has the potential to employ in the preparation of P-type β-Ga2O3.