First Principles Studies on Mg Impurity Incorporation into GaN during MOVPE Growth

Takashi Kuroda

13:50 〜 13:52

[SO-PS-11-11] First Principles Studies on Mg Impurity Incorporation into GaN during MOVPE Growth

^○Takashi Kuroda¹, Lisa Mizuno², Shuto Hattori³, Kenji Shiraishi^3,4 (1. Gifu Highschool (Japan), 2. Nanzan Highschool (Japan), 3. Graduate School of Engineering, Nagoya Univ. (Japan), 4. Institue of Materials and Sytemss for Sustainability, Nagoya Univ. (Japan))

We have theoretically studied the Mg impurity incorporation from the GaN surface during MOVPE growth by the first principles calculations. We have found that the total energy when Mg the impurity is located on the surface is lower than that when Mg impurity is located inside the GaN bulk. These results show that Mg impurities tend to segregate on the surface during GaN MOVPE growth. We also found that the above tendency does not change when we took into account the hydrogen incorporation effects.

2023 International Conference on Solid State Devices and Materials

[SO-PS-11-11] First Principles Studies on Mg Impurity Incorporation into GaN during MOVPE Growth