Electronic structure and optical properties of N-Zn co-doped-Ga_2O_3

The electronic structure and optical properties of N-doped β-Ga2O3 and N-Zn co-doped β-Ga2O3 are investigated by the first-principles calculation. In the N-Zn co-doped β-Ga2O3 system, the lattice parameters of a, b, c, V decrease and the total energy Etot,l increases in comparison with N-doped β-Ga2O3. The calculated ionization energy of N-Zn co-doped β-Ga2O3 is smaller than that of N-doped β-Ga2O3. Two shallower acceptor impurity levels are introduced in N-Zn co-doped β-Ga2O3. Compared with N-doped β-Ga2O3, the major absorption peak is red-shifted and the impurity absorption edge is blue-shifted for N-Zn co-dopedβ-Ga2O3. The results show that the N-Zn co-doped β-Ga2O3 is found to be a better method to push p-type conductivity in β-Ga2O3.

The electronic structure and optical properties of N-doped-Ga2O3 and N-Zn co-doped-Ga2O3 are investigated by the first-principles calculation.In the N-Zn co-doped-Ga2O3 system,the lattice parameters of a,b,c,V decrease and the total energy E total increases in comparison with N-doped-Ga2O3.The calculated ionization energy of N-Zn co-doped-Ga2O3 is smaller than that of N-doped-Ga2O3.Two shallower acceptor impurity levels are introduced in N-Zn co-doped-Ga 2O3.Compared with N-doped-Ga2O3,the major absorption peak is red-shifted and the impurity absorption edge is blue-shifted for N-Zn co-doped-Ga2O3.The results show that the N-Zn co-doped-Ga2O3 is found to be a better method to push p-type conductivity in-Ga 2O3.