An experimental-theoretical atomic-scale study - in situ analysis of III–V on Si(100) growth for hybrid solar cells

We consider GaP/Si(100) as quasi-substrate for III-V-on-silicon growth targeting solar energy exploration in dual junction devices for both photovoltaics as well as photoelectrochemical tandem diodes with optimum bandgaps. We prepare Si(100) surfaces with majority domains of either type, grow thin GaP layers free of anti-phase disorder, find that abrupt Si-P interfaces are favored over abrupt Si-Ga interfaces and, finally, observe an RAS signal attributed to N incorporation in GaPN/Si(100). Combining in situ reflection anisotropy spectroscopy during metalorganic vapor phase epitaxy with UHV-based surface techniques and ab initio DFT calculations, we aim to understand the interface formation at the atomic scale.