[23p-P07-1~7] 15.3 III-V-group epitaxial crystals, Fundamentals of epitaxy

[23p-P07-1] First-principles calculations on the formation of nitrogen-induced point defects in GaAsPN solar cell materials

〇(B)Tatsuki Nakagawa¹, Keisuke Yamane¹, Shun One¹, Akihiro Wakahara¹ (1.Toyohashi University of Technology)

Keywords:GaAsPN, first-principles calculation, nitrogen-induced point defects

GaAsPN is expected to be a promising material for multi-junction solar cells on Si substrates in terms of band gap and lattice matching. On the other hand, (N-N)_V, in which nitrogen pairs are substituted in the group-V sites, forms deep energy levels in the band gap and has a significant influence on the optical properties.
In this study, we performed first-principles calculations to theoretically clarify the formation mechanism of N-induced point defects in GaAsPNs.