Strong Coupling Nature of the Excitonic Insulator State in Ta_{2}NiSe_{5}

Phys Rev Lett. 2018 Jun 15;120(24):247602. doi: 10.1103/PhysRevLett.120.247602.

Abstract

We analyze the measured optical conductivity spectra using the density-functional-theory-based electronic structure calculation and density-matrix renormalization group calculation of an effective model. We show that, in contrast to a conventional description, the Bose-Einstein condensation of preformed excitons occurs in Ta_{2}NiSe_{5}, despite the fact that a noninteracting band structure is a band-overlap semimetal rather than a small band-gap semiconductor. The system above the transition temperature is therefore not a semimetal but rather a state of preformed excitons with a finite band gap. A novel insulator state caused by the strong electron-hole attraction is thus established in a real material.