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Structural, electronic, ferroelectric, and optical properties oftwo-dimensional (2D) BiN monolayer material with phosphorene-like structure arestudied in terms of the density functional theory and modern Berry phaseferroelectric method. Both phonon spectra and molecular dynamics simulationsindicate that the BiN monolayer is a room-temperature stable 2D ferroelectricwith polarization as large as 580 pC/m. Further studies show that thepolarization in the BiN monolayer can be easily switched from [100] to [010]direction over the bridging saddle phase by applying a tensile [010] stress of2.54 N/m or compressive [100] stress of -1.18 N/m. This phase transition makesits lattice constants vary in a large range compared to other non-ferroelectric2D materials. Moreover, through applying uniaxial tensile stress parallel tothe polarization, one can fix the polarization and change the semiconductorenergy gap from direct to indirect one. The optical properties feature a verystrong anisotropy in reflectivity below the photon energy of 4 eV. All thesesignificant ferroelectric, electronic, and optical properties make us believethat the 2D BiN monolayer can be used to make stretchable electronic devicesand optical applications.

Mechanically-controllable strong 2D ferroelectricity and anisotropic optical properties of flexible BiN monolayer