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Updated: Apr 12, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Phase transitions of the ionic Hubbard model on the honeycomb lattice
Heng-Fu Lin1, Hai-Di Liu1, Hong-Shuai Tao1
1Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
Abstract:
Many-body problem on the honeycomb lattice systems have been the subject of considerable experimental and theoretical interest. Here we investigate the phase transitions of the ionic Hubbard model on the honeycomb lattice with an alternate ionic potential for the half filling and hole doping cases by means of cellular dynamical mean field theory combining with continue time quantum Monte Carlo as an impurity solver. At half filling, as the increase of the interaction at a fixed ionic potential, we find the single particle gap decreases firstly, reaches a minimum at a critical interaction Uc, then increases upturn. At Uc, there is a band insulator to Mott insulator transition accompanying with the presence of the antiferromagnetic order. Away from half filing, the system shows three phases for the different values of hole density and interaction, paramagnetic metal, antiferromagnetic metal and ferromagnetic metal. Further, we present the staggered particle number, the double occupancy, the staggered magnetization, the uniform magnetization and the single particle spectral properties, which exhibit characteristic features for those phases.
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