Presentation Information

[24p-P16-27]Electronic states and dielectric properties of power semiconductor gallium oxide by quasiparticle self-consistent GW method

Kazuki Muranaka1, 〇Masao Obata1, Ko Hyodo1, Takao Kotani2, Tatsuki Oda1 (1.Kanazawa Univ., 2.Tottori Univ.)

Keywords:

wide-bandgap semiconductor,gallium oxide,GW method

We investigated the electronic structures of β-Ga2O3, which is one of the promising materials for wide-gap semiconductor applications. The electronic structures of the surfaces of (100) and (-201) structures were computed, as well as the bulk structure, by the quasiparticle self-consistent GW approach. The obtained band gap was in good agreement with the experimental fact, supporting the reliability of our approach. Surface dangling bonds of Ga atoms in the (-201) structure were successfully deactivated by the Hydrogen termination. We will show the details of the computational method and obtained electronic structures in the presentation.