Novel Two-dimensional Semiconductor Monolayer SnP2 with Tunable Bandgap

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Abstract

The electronic and mechanical properties of monolayer SnP2 are calculated by density functional theory (DFT), showing that monolayer SnP2 is a quasi-direct semiconductor with a moderate bandgap of 1.44 eV. The phonon dispersion, the molecular dynamics and the strain energy reveal that SnP2 is dynamically, thermally and mechanically stable. Further, the bandgap of SnP2 sheet can be effectively adjusted by applying strain. These results open the door for future applications in catalysis and optoelectronics.

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