Prediction of One-Dimensional Metallicity and π-Band Superconductivity in Rhodizonate Radical Pancakes.

ABSTRACT: Computational exploration of condensed phases made of potassium and carbon monoxide leads to predictions of stable salts composed of cyclic six-membered oxocarbon anions and K⁺ cations, K_n(C₆O₆)_m. The states of reduction in these systems are wide-ranging, with C₆O₆ molecules formally reduced by -2, -3, -3.5, and -6 in semiconducting and metallic phases. Special attention is paid to K₃C₆O₆, in which triply charged radical anions stack closely and equidistantly in one dimension. Equidistant interactions of radicals are exceedingly rare and typically unstable due to spontaneous symmetry breaking, Peierls or Jahn-Teller distortion. The predicted exception of K₃C₆O

SUBMITTER: Lobato A 

PROVIDER: S-EPMC12624317 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature