LAUSR

Abstract Electronic structures and electromagnetic wave absorption properties of Fe3Si/polypyrrole (PPy) composites are investigated by using first principles methods based on plane–wave pseudopotential theory. The calculation of electric structures shows that the Fe3Si/PPy composite presents typical metal properties. The real and imaginary parts of the dielectric constant of Fe3Si/PPy are larger than those of Fe3Si. The maximum absorption coefficient of Fe3Si is larger than that of Fe3Si/PPy, and the maximum absorption coefficients of both materials all increase first and then decrease. However, the variation range of the absorption coefficient of Fe3Si/PPy is wider than that of Fe3Si. The reflection coefficient and maximum extinction coefficient of Fe3Si/PPy are larger than those of Fe3Si. The maximum reflection coefficient of Fe3Si/PPy is greater than that of Fe3Si, and the maximum reflection coefficients of Fe3Si/PPy and Fe3Si are 0.81 and 0.91, respectively. In terms of loss function and refractive index, Fe3Si/PPy has more practical value than Fe3Si.