Electronic and structural properties of large lattice-mismatched Si/BP superlattice

We present results for electronic and structural properties of large lattice mismatched Si/BP superlattice by first principle calculations based on the density functional theory. A self-consistent pseudopotential calculation has been pet-formed at Si/BP (001) strained interface. We also analyze the total energy of ground state, lattice constant and electrostatic potential line up of heterojunction between Si/BP zincblende compounds. Finally, we have investigated electronic band structure and the effect to electrostatic potential line up of structural details at interface of this system.