Poly films extinction

Theoretical predictions of the optical properties of polysilanes have been recently published. From his LDA band structure calculations, Mintmire has calculated the extinction coefficient expected for various orientations of planar-zigzag poly(di-methylsilane) [14]. His results for a randomly oriented film are shown in figure 4, along with the extinction coefficient for poly(di-n-hexylsilane) from our experiment. With the assignment of the one-dimensional direct gap of the band structure calculation to the second UV absorption peak at 3.91 eV, the band structure calculations predict both the... 

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