New insight on the sources of p-type conductivity in SnO

The precise explanation for the p-type characteristics of SnO at a microscopic level remains unclear. However, understanding SnO conduction behavior is critical for optimizing SnO-based p-type transparent conducting. Through a combination of Density Functional Theory (DFT) and Nuclear Magnetic Resonance (NMR) analyses, we have discovered that the p-type properties of SnO arise from the existence of these extra holes in the dispersive Bloch-like band formed by Sn2+-O2-Sn4+ complexes. We hope that our findings will aid in the development of highly efficient SnO-based technology. •XRD, Raman, and IR techniques unequivocally confirm the exceptional crystallinity of SnO.•High-resolution 119Sn and 117Sn NMR spectra of SnO have been successfully obtained.•DFT calculations elucidate the role of H impurities and the formation of Sn2+-O2-Sn4+ complexes, providing crucial insights into the sources of p-type conductivity in SnO.