Topological Transition in Aromatic and Quinonoid π-Conjugated Polymers Induced by Static Strain.

ABSTRACT: A topological quantum phase transition has been identified for the first time for 24 π-conjugated polymers as a function of external longitudinal strain due to a level crossing of the frontier orbitals at the topological phase transition. Topological phase is determined by the presence/absence of edge states. Out of the 24 polymers 15 are traditionally assigned an aromatic character, and 9 are traditionally assigned a quinonoid character. We find that all aromatic ones correspond to the trivial topological phase (Zak invariant, Z₂ = 0), while all of the quinonoid ones to the nontrivial topological phase (Z₂ = 1) replacing the intuitive characterization of aromatic/quinonoid with the physically well-defined Zak invariant. Unique topological phase transiti

SUBMITTER: Bhattacharjee R 

PROVIDER: S-EPMC11440520 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature