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Volumn 61, Issue 24, 2000, Pages 16538-16549

Structure, morphology, and optical properties of highly ordered films of para-sexiphenyl

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EID: 0000273881     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.61.16538     Document Type: Article
Times cited : (89)

References (82)
  • 67
    • 4244153099 scopus 로고
    • For the polarization of the peaks see also M. J. Rice and Yu. N. Gartstein, Phys. Rev. Lett. 73, 2504 (1994).
    • (1994) Phys. Rev. Lett. , vol.73 , pp. 2504
    • Rice, M.1
  • 69
    • 4243307304 scopus 로고    scopus 로고
    • As pointed out already above, the lowest-lying excited state in the highly correlated INDO/SCI molecular simulations is dominated by a single configuration. This implies that band-structure calculations relying on a single-particle picture should provide a proper description of the electronic structure of the organic molecular crystals. In a recent theoretical report [M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 82, 1959 (1999)] the authors do point to the significance of excitonic effects by solving the Bethe-Salpeter equation for isolated poly(acetylene) and poly(phenylene-vinylene) (PPV) chains. This approach can not be applied to the (Formula presented) molecular crystals investigated here, as first of all such calculations are far beyond present computational possibilities for the (Formula presented) unit cell containing 124 atoms.
    • (1999) Phys. Rev. Lett. , vol.82 , pp. 1959
    • Rohlfing, M.1    Louie, S.2
  • 70
    • 0001306427 scopus 로고    scopus 로고
    • The inclusion of interchain interaction effects (in a crystalline environment) does, strongly reduce the exciton binding energy, as has been shown in J.-W. van der Horst, P. A. Bobbert, and M. A. J. Michels, Phys. Rev. Lett. 83, 4413 (1999). Secondly the polarizations of some of the transitions for PPV in the paper by Rohlfing et al. do not agree with previous theoretical and experimental observations for phenylene containing materials. The polarizations of the transitions are, however, crucial for the effects discussed in this work.
    • (1999) Phys. Rev. Lett. , vol.83 , pp. 4413
    • Bobbert, P.1    Michels, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.