Interface features and electronic structure of Bi2SiO5/β-Bi2O3 hetero-junction

Abstract

Atomic and electronic structure of Bi2SiO5/β-Bi2O3 hetero-junction was described by means of density functional theory. The interface was found to be narrow-gap semiconductor with indirect band gap. The redistribution of states near the Fermi level in hybrid structure and the impact of spin-orbit coupling are discussed.