Abstract
Restricted Hartree-Fock self-consistent field method was employed to study all-trans molecular chain of P(VDF-TrFE) copolymer. Defect and gauche bonds in electron doped chain of P(VDF-TrFE) were found in our calculations, which could cause the relaxor behavior in electron-irradiated P(VDF-TrFE) copolymer. The exceptionally high electrostrictive response of electron-irradiated P(VDF-TrFE) copolymer is discussed by comparing the density of state and energy levels of all-trans chain and electron doped chains.
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