Phase diagram and critical behavior of Hubbard model on the square-hexagon-octagon lattice

Abstract: Employing the projective formalism of determinant quantum Monte Carlo (DQMC) simulations, we meticulously explore the ground-state phase diagram and critical behavior of the half-filled Hubbard model on a square-hexagon-octagon (SHO) lattice. This lattice, a two-dimensional (2D) structure comprising squares, hexagons, and octagons, is representative of the biphenylene network (BPN). Our findings reveal an intriguing ground-state phase diagram, featuring an antiferromagnetic (AFM) Mott insulating phase enveloped by three valence-bond solid-like (VBS-like) insulating phases. Analyzing the single-particle gap, spin gap, and single-particle spectral function, we observe that the metallic state in the noninteracting case becomes unstable under the influence of Hubbard U. This interaction drives the system into a hexagon insulating phase before transitioning into an AFM Mott insulating phase. To quantify the critical exponents, we use finite-size scaling techniques. The critical exponents of quantum critical points between the AFM Mott insulating phase and two insulating phases, plaquette insulator and ethylene insulator, closely align with the 3D O(3) universality class. However, the critical exponents of quantum critical points between the hexagon insulating phase and the AFM Mott insulating phase deviate from the 3D O(3) universality class. This deviation is a finite-size effect and can be attributed to the coupling between the fluctuations of magnetic order parameter and very low-energy fermionic excitations. Our comprehensive study not only advances the understanding of correlation effects on the SHO lattice but also sheds light on the less-explored critical exponents in weakly insulating quantum critical point.