Impact of electron-hole correlations on the 1T-TiSe_{2} electronic structure

Phys Rev Lett. 2015 Feb 27;114(8):086402. doi: 10.1103/PhysRevLett.114.086402. Epub 2015 Feb 24.

Abstract

Several experiments have been performed on 1T-TiSe_{2} in order to identify whether the electronic structure is semimetallic or semiconducting without reaching a consensus. In this Letter, we theoretically study the impact of electron-hole and electron-phonon correlations on the bare semimetallic and semiconducting electronic structure. The resulting electron spectral functions provide a direct comparison of both cases and demonstrate that 1T-TiSe_{2} is of predominant semiconducting character with some spectral weight crossing the Fermi level.