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Theoretical studies on the proton and electron transfer (PET) in a pseudo one-dimensional hydrogen bonded network system

✍ Scribed by Y. Shigeta; Y. Kitagawa; H. Nagao; Y. Yoshioka; J. Toyoda; K. Nakasuji; K. Yamaguchi

Publisher: Elsevier Science
Year: 2001
Tongue: English
Weight: 330 KB
Volume: 90
Category: Article
ISSN: 0167-7322
DOI: 10.1016/s0167-7322(01)00108-8

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✦ Synopsis

We investigated singly ordered phases of the charge density wave (CDW), spin density wave (SDW), and singlet superconductivity @SC) for a pseudo one-dimensional proton and electron transfer (PET) system of quinhydrone crystal by means of the two band model. We performed band structure calculations of model systems, which are (i) the quinone and the p-hydroquinone model and (ii) two semiquinones model. We found that the model (i) exhibits an insulator and the model (ii) exhibits the SDW insulator.

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