Chemical Vapor Deposition Synthesis and Optical Properties of Nb 2 O 5 Thin Films with Hybrid Functional Theoretical Insight into the Band Structure and Band Gaps

Nb O is an important material able to exist in many polymorphs with unique optical properties and morphologies that are dependent on the synthetic route. Here we report a novel ambient-pressure chemical vapor deposition route to Nb O via aerosol-assisted chemical vapor deposition. The amorphous as-deposited films were annealed in air to obtain the the three most stable crystal structures: orthorhombic, tetragonal, and monoclinic. The films were thoroughly characterized for their material properties, and an in-depth study into the optical properties was carried out using state-of-the-art hybrid functional theory that allowed more insight into the optical properties of the materials.