Electronic structure and optical properties of resin.
We used the density of functional theory (DFT) to study the electronic structure and density of states of resin by ab initio calculation. The results show the band gap of resin is 1.7 eV. The covalent bond is combined C/O atoms with H atoms. The O 2p orbital is the biggest effect near the Fermi level. The results of optical properties show the reflectivity is low, and the refractive index is 1.7 in visible light range. The highest absorption coefficient peak is in 490 nm and the value is 75,000.
Analysis and Testing Center of Yunnan, Kunming University of Science and Technology, Kunming 650093, China. raozhifan@163.com
Zhi-Fan
ZF
Rao
Rong-Feng
RF
Zhou
D018647:Amber / Q000737:chemistry*; D004583:Electrons; D008027:Light; D008958:Models, Molecular; D011789:Quantum Theory; D012031:Refractometry
D018647:Amber