Paper Title:
Polyimide Electronic Structural and Optical Properties from First Principles Calculations
  Abstract

The electronic structural and optical properties of Polyimide (PI) are studied by first principle method of density theory. It is shown that molecules orbit contribution of PI is derived from carbon 2p orbital and oxygen 2p orbital, respectively,and the band gap from the energy band structure is much smaller than that of the experimental value. It is also found that the band gap calculated from the absorption edge of absorption spectra is in agreement with the result of the energy band structure. Furthermore, the relationship between the formation of dielectric function peaks and other spectral characteristics is interpreted.

  Info
Periodical
Chapter
Chapter 2: Frontiers of Materials Science and Engineering
Edited by
Ran Chen
Pages
597-601
DOI
10.4028/www.scientific.net/MSF.694.597
Citation
J. Q. Lin, J. Leng, M. H. Xia, J. H. Shi, Q. G. Chi, "Polyimide Electronic Structural and Optical Properties from First Principles Calculations", Materials Science Forum, Vol. 694, pp. 597-601, 2011
Online since
July 2011
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$32.00
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