Defect formation in III–V fin grown by aspect ratio trapping technique: A first-principles study

First-principles investigations are used to study the formation of defects in III-V fins grown using the aspect ratio trapping technique. We show that, during the growth of the III-V, the formation of intermediate chemical states with the precursors leads to the creation of in-diffused Mg/Zn and Al
₂
O
₃
sub-oxide. Our prediction is consistent with the experimental observations. These defect formations could be at the origin of the degradation of the electrical reliability of III-V fin-shaped field-effect transistors and the cause of the increasing difficulties met in the fabrication of III-V fin.