Tailoring topological order and π-conjugation to engineer quasi-metallic polymers

  title={Tailoring topological order and $\pi$-conjugation to engineer quasi-metallic polymers},
  author={Borja Cirera and Ana S{\'a}nchez-Grande and Bruno de la Torre and Jos{\'e} Santos and Shayan Edalatmanesh and Eider Rodr{\'i}guez-S{\'a}nchez and Koen Lauwaet and Benjamin Mallada and Radek Zbořil and Rodolfo Miranda and Oliver Gr{\"o}ning and Pavel Jel{\'i}nek and Nazario Mart{\'i}n and David {\'E}cija},
  journal={Nature Nanotechnology},
  pages={437 - 443}
Topological band theory predicts that a topological electronic phase transition between two insulators must proceed via closure of the electronic gap. Here, we use this transition to circumvent the instability of metallic phases in π-conjugated one-dimensional (1D) polymers. By means of density functional theory, tight-binding and GW calculations, we predict polymers near the topological transition from a trivial to a non-trivial quantum phase. We then use on-surface synthesis with custom… Expand
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