Unprecedented pressure-driven metallization and topological charge transport in an anion radical salt

Abstract

The hybrid inorganic/organic closed π-stacking and soft lattice of a copper anion radial (Copper-7,7,8,8-tetracyanoquinodimethane) renders its electrical conductivity and structural modifications, which are susceptible to temperature and pressure. The geometry of its metal-ligand construction contemplates the concept of topology with a charge-transfer instability. A pressure-induced ionic-neutral phase transition occurs and accompanies an anomalously large electrical conductivity, carries topological charges, and possesses a low energy gap smaller than the Coulomb gap. X-ray absorption spectroscopy of the metal establishes the high electrical conduction by the topological charges. X-ray diffraction and the first-principles calculations further suggest that the compression leads to an irreversible alteration in the metal coordination and rotation of the quinoid rings of the anion. The present observation demonstrates a close coupling of topological charges and lattice dynamics within a relatively low-pressure regime, which may expand a novel paradigm for the comprehensive topological charge transport phenomena including thermoelectric effects in future.