Boron-pnictogens: Highly anisotropic two-dimensional semiconductors for nanoelectronics and optoelectronics

Two-dimensional materials open up tremendous opportunities for nanoelectronics and optoelectronics. Using first-principles density functional methods, we predict a family of two-dimensional boron-pnictogen materials. Our results show that these have excellent energetic, dynamical, thermal, mechanical, chemical stabilities. The intrinsic structural anisotropy found in leads to highly direction-dependent electronic, optical properties. They possess anisotropic Young's modulus Poisson's ratio. tensile strength under uniaxial biaxial deformations is be very high Electronically, they are all semiconductors with narrow band gaps. gap energies can tuned by alloying, strain engineering, functionalization. exhibit carrier mobility. All electronic properties make them promising candidates nanoelectronic device applications. state-of-the-art $GW$- Bethe-Salpeter equation approach, taking the electron-hole effect into account, prominent absorption structure strong visible light region endow great potential