  GaP/Si(100) is considered as pseudomporphic virtual substrate for III/V-on-Si
integration in order to reduce defects related to polar-on-nonpolar
heteroepitaxy. The atomic structure of the GaP/Si(100) heterointerface is
decisive to yield low defect densities and its dependence on nucleation
conditions is still under debate. Recently, Beyer et al. suggested the
formation of a 'pyramidal' structure as a general mechanism at
polar-on-nonpolar interfaces [A. Beyer et al., Chem. Mat. 28, 3265 (2016)].
However, their DFT studies neglected the dependence of the calculated
interfacial energies on appropriate chemical potentials and their findings are
contradictory to recent and past experimental data.
