Strain-tunable electronic and optical properties of h-BN/BC₃ heterostructure with enhanced electron mobility

By using first-principles calculation, we study the properties of h-BN/BC₃ heterostructure and the effects of external electric fields and strains on its electronic and optical properties. It is found that the semiconducting h-BN/BC₃ has good dynamical stability and ultrahigh stiffness, enhanced electron mobility, and well-preserved electronic band structure as the BC₃ monolayer. Meanwhile, its electronic band structure is slightly modified by an external electric field. In contrast, applying an external strain can mildly modulate the electronic band structure of h-BN/BC₃ and the optical property exhibits an apparent redshift under a compressive strain relative to the pristine one. These findings show that the h-BN/BC₃ hybrid can be designed as optoelectronic device with moderately strain-tunable electronic and optical properties.