We employ first-principles calculations to demonstrate ferromagnetic ground states for single- and multi-layer lead monoxide (PbO) under hole-doping, originating from a van Hove singularity at the valence band edge. Both the sample thickness and applied strain are found to have huge effects on the electronic and magnetic properties. Multi-layer PbO is an indirect band gap semiconductor, while a direct band gap is realized in the single-layer limit. In hole-doped single-layer PbO, biaxial tensile strain can enhance the stability of the ferromagnetic state.
Bibliographical noteKAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was financially supported by the National Natural Science Foundation of China (No. 11504169, 61575094 and 21673118), the National Basic Research Program of China (2015CB932200), the Natural Science Foundation of the Higher Education Institutions of Jiangsu Province, China (16KJB150018) and the Jiangsu Province Postgraduate Innovation Project. The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).