A comparison of electronic structure and optical properties between N-doped β-Ga ₂O ₃ and NZn co-doped β-Ga ₂O ₃

The electronic structure and optical properties of N-doped β-Ga ₂O ₃ and NZn co-doped β-Ga ₂O ₃ are investigated by the first-principles calculation. In the NZn co-doped β-Ga ₂O ₃ system, the lattice parameters of a, b, c, V decrease and the formation energy of NZn co-doped β-Ga ₂O ₃ is smaller in comparison with N-doped β-Ga ₂O ₃. There are two shallower acceptor impurity levels in NZn co-doped β-Ga ₂O ₃. Comparing with N-doped β-Ga ₂O ₃, the major absorption peak is red-shifted and the impurity absorption edge is blue-shifted for NZn co-doped β-Ga ₂O ₃. The results show that the NZn co-doped β-Ga ₂O ₃ is found to be a better method to push p-type conductivity in β-Ga ₂O ₃.