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 IIIV, the formation of intermediate chemical states with the precursors leads to the creation of in-diffused Mg/Zn and Al2O3 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.