Abstrakt

First-principles study of ethylene tetrafluoroethylene

H.R.Sreepad

First-principles calculations based on Density Functional Theory has been employed to simulate the structure of Ethylene tetrafluoroethylene. Structural parameters have been measured. Electron density of states, Dielectric constant and phonon modes have been computed and the results have been reported in the present paper. Phonon modes indicate that the structure is highly stable. Electron density of states indicate that the material is a very good insulator.