A three-dimensional tight-binding model for trans-polyacetylene
نویسندگان
چکیده
منابع مشابه
Three-dimensional structure and intrinsic defects in trans-polyacetylene.
We report first-principles local-density-functional pseudopotential calculations of static and dynamic electronic structure properties of crystalline 3D trans (CH-) " We .find a broken-symmetry ground state of P21/a symmetry with in-phase dimerizations. Using a Green's-function technique, we show that the 3D character of the electronic band-edge states strongly suppresses self-trapping, destabi...
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We report a first-principles, local-density-functional (LDA) calculation of the electronic structure of crystalline, three-dimensional (3D) trans-(CH)„. For the perfect crystal, we find a brokensymmetry ground state having P2&/a space-group symmetry, corresponding to in-phase dimerization on neighboring chains within the unit cell. We show that in this structure the interchain couplings, althou...
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Common models describing magnetotransport properties of periodically modulated two–dimensional systems often either directly start from a semiclassical approach or give results well conceivable within the semiclassical framework. Recently, magnetoresistance oscillations have been found on samples with strong unilateral modulation and short period (d = 15 nm) which cannot be explained on a semic...
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ژورنال
عنوان ژورنال: Synthetic Metals
سال: 1991
ISSN: 0379-6779
DOI: 10.1016/0379-6779(91)91352-b