[14p-P05-1~12] 15.4 III-V-group nitride crystals

[14p-P05-10] The electronic states of the gallium-nitrides with a point defect terminated by chlorine atoms

〇Yuma Yamagishi¹, Tomoe Yayama¹, Tohru Honda¹ (1.Kogakuin Univ.)

Keywords:

Gallium nitride

Defects that arise during the growth process of gallium nitride (GaN) crystals can cause device malfunctions and performance degradation. In this study, we investigated the electronic states of various Cl-terminated models for point defects inside GaN crystals. As a result, it was found that the model with one chlorine atom placed at the defect point has a DOS like that of the defect-free model, and that the charge density distribution shows that the Cl atom forms a charge density like that of the sp³ hybrid orbital, indicating the possibility of defect termination using the Cl atom.