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PbSe, a predicted two-dimensional (2D) topological crystalline insulator(TCI) in the monolayer limit, possess excellent thermoelectric and infraredoptical properties. Native defects in PbSe take a crucial role for theapplications. However, little attention has been paid to the defect induceddoping characteristics. Here, we provide an experimental and theoreticalinvestigation of defects induced p-type characteristic on epitaxial monolayerPbSe on Au(111). Scanning tunneling microscopy (STM) measurements demonstratean epitaxial PbSe monolayer with a fourfold symmetric lattice. Combinedscanning tunneling spectroscopy (STS) and density functional theory (DFT)calculations reveal a quasi-particle bandgap of 0.8eV of PbSe. STM resultsunveil that there are two types of defects on the surface, one is related thevacancies of Pb atoms and the other is the replacement of the absent Se atomsby Pb. Corresponding theoretical optimization confirms the structures of thedefects. More importantly, both STS measurements and DFT calculations giveevidence that the Pb vacancies move the Fermi energy inside the valence bandand produce extra holes, leading to p-type characteristics of PbSe. Our workprovides effective information for the future research of device performancebased on PbSe films.

Native Pb vacancy defects induced p-type characteristic in epitaxial monolayer PbSe