Band structure and optical properties of amber studied by first principles

Abstract

The band structure and density of states of amber is studied by the first principles calculation based on density of functional theory. The complex structure of amber has 214 atoms and the band gap is 5.0eV. The covalent bond is combined C/O atoms with H atoms. The O 2p orbital is the biggest effect near the Fermi level. The optical properties' results show that the reflectivity is low, and the refractive index is 1.65 in visible light range. The highest absorption coefficient peak is at 172nm and another higher peak is at 136nm. These convince that the amber would have a pretty sheen and that amber is a good and suitable crystal for jewelry and ornaments.