Abstract
We report first-principles local-density-functional pseudopotential calculations of static and dynamic electronic structure properties of crystalline 3D trans-(CH${)}_{\mathrm{x}}$. We find a broken-symmetry ground state of P${2}_{1}$/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, destabilizing polarons, and possibly bipolarons as well in perfectly ordered 3D trans-(CH${)}_{\mathrm{x}}$. .AE
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