Band Alignment of Grafted versus Directly Bonded Si/Ge Heterostructures

Abstract

The electronic properties of semiconductor heterostructures are influenced by the local bonding and electrostatic environment at the heterointerface. Here, we investigate how the interface-formation mechanism modifies the band alignment of Si/Ge heterostructures by directly comparing Al2O3-mediated semiconductor grafting with direct bonding. Interface-sensitive X-ray photoelectron spectroscopy combined with Kraut analysis reveals type-I band alignment for both structures, but with different band offsets: the valence-band offset increases from ~0.08 eV for directly bonded Si/Ge to ~0.21 eV for grafted Si/Al2O3/Ge, accompanied by a corresponding reduction in the conduction-band offset. Raman spectroscopy further distinguishes the two interfacial configurations. The different core-level shifts and band offsets indicate that the electronic structure is sensitive to the interfacial bonding and electrostatic environment introduced by the two integration schemes. These results demonstrate that, even for an identical Si/Ge material pair, the interface-formation pathway provides an additional degree of freedom for controlling heterojunction band alignment, offering a route toward interface-engineered electronic and optoelectronic devices.