One particle spectral weight of the three dimensional single band Hubbard model

TL;DR

This study investigates the spectral properties of the three-dimensional single-band Hubbard model using Quantum Monte Carlo and maximum entropy methods, revealing quasiparticle peaks, a gap at half-filling, and doping effects, with comparisons to theoretical and experimental data.

Contribution

It provides new insights into the spectral weight distribution and quasiparticle features of the 3D Hubbard model, including doping effects and comparisons with other models and experiments.

Findings

Clear gap in density of states at half-filling

Well-defined quasiparticle peaks at Hubbard band edges

Antiferromagnetically induced spectral weight above Fermi momentum

Abstract

Dynamic properties of the three-dimensional single-band Hubbard model are studied using Quantum Monte Carlo combined with the maximum entropy technique. At half-filling, there is a clear gap in the density of states and well-defined quasiparticle peaks at the top (bottom) of the lower (upper) Hubbard band. We find an antiferromagnetically induced weight above the naive Fermi momentum. Upon hole doping, the chemical potential moves to the top of the lower band where a robust peak is observed. Results are compared with spin-density-wave (SDW) mean-field and self consistent Born approximation results, and also with the infinite dimensional Hubbard model, and experimental photoemission (PES) for three dimensional transition-metal oxides.