Interlayer Engineering of Band Gap and Hole Mobility in p-Type Oxide SnO

The development of high-performance p-type oxides with wide band gap and high hole mobility is critical for the application of oxide semiconductors in back-end-of-line (BEOL) complementary metal-oxide-semiconductor (CMOS) devices. SnO has been intensively studied as a high-mobility p-type oxide due to its low effective hole mass resulting from the hybridized O-2p/Sn-5s orbital character at the valence band edge. However, SnO has a very small band gap (∼0.7 eV) for practical p-type oxide devices. In this work, we report an engineering method to enhance the band gap and hole mobility in SnO. It is found that both the band gap and the hole mobility of a layer-structured SnO increase with the interlayer stacking spacing change. By exploiting this unique electronic structure feature, we propose expanding the interlayer spacing by interlayer intercalation to engineer the band gap and p-type mobility in SnO. Small molecules like NH₃ and CH₄ are shown to be capable of expanding the interlayer spacing and of increasing the band gap and hole mobility in SnO and thus could potentially serve as the interlayer intercalants. The results provide a viable way for the experimental realization of wide-band-gap and high hole-mobility p-type SnO for BEOL vertical CMOS device applications.