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The electronic properties of epitaxial heterojunctions consisting of theprototypical perovskite oxide semiconductor,n-SrTiO3 and the high-mobilityGroup IV semiconductor p-Ge have been investigated. Hard x-ray photoelectronspectroscopy with a new method of analysis has been used to determine bandalignment while at the same time quantifying a large built-in potential foundto be present within the Ge. Accordingly, the built-in potential within the Gehas been mapped in a layer-resolved fashion. Electron transfer from donors inthe n-SrTiO3 to the p-Ge creates a space-charge region in the Ge resulting indownward band bending which spans most of the Ge gap. This strong downward bandbending facilitates visible-light, photo-generated electron transfer from Ge toSTO, favorable to drive the hydrogen evolution reaction associated with watersplitting. Ti 2p and Sr 3d core-level line shapes reveal that the STO bands areflat despite the space-charge layer therein. Inclusion of the effect of Ge bandbending on band alignment is significant, amounting to a ~0.4 eV reduction invalence band offset compared to the value resulting from using spectra averagedover all layers. Density functional theory allows candidate interfacestructural models deduced from scanning transmission electron microscopy imagesto be simulated and structurally optimized. These structures are used togenerate multi-slice simulations that reproduce the experimental images quitewell. The calculated band offsets for these structures are in good agreementwith experiment.

Layer-resolved band bending at the n-SrTiO3(001)/p-Ge(001) interface