A comparison of electronic structure and optical properties between N-doped beta-Ga2O3 and N-Zn co-doped beta-Ga2O3

作者：Zhang, Liying; Yan, Jinliang^*; Zhang, Yijun; Li, Ting; Ding, Xingwei

来源：Physica B: Condensed Matter , 2012, 407(8): 1227-1231.

DOI：10.1016/j.physb.2012.01.107

• P-type beta-Ga2O3
• Co-doped beta-Ga2O3
• First-principles
• Electronic band structure
• Optical properties

The electronic structure and optical properties of N-doped beta-Ga2O3 and N-Zn co-doped beta-Ga2O3 are investigated by the first-principles calculation. In the N-Zn co-doped beta-Ga2O3 system, the lattice parameters of a, b, c, V decrease and the formation energy of N-Zn co-doped beta-Ga2O3 is smaller in comparison with N-doped beta-Ga2O3. There are two shallower acceptor impurity levels in N-Zn co-doped beta-Ga2O3. Comparing with N-doped beta-Ga2O3, the major absorption peak is red-shifted and the impurity absorption edge is blue-shifted for N-Zn co-doped beta-Ga2O3. The results show that the N-Zn co-doped beta-Ga2O3 is found to be a better method to push p-type conductivity in beta-Ga2O3.

• 出版日期2012-4-15
• 单位鲁东大学