Quantum critical behavior in three-dimensional one-band Hubbard model at half filling

TL;DR

This paper investigates the quantum critical behavior of the three-dimensional half-filled one-band Hubbard model, deriving an effective Heisenberg model, analyzing phase transitions, and studying magnon contributions to heat capacity.

Contribution

It introduces a new effective Heisenberg model for the Hubbard system at half filling, accounting for doublon and holon states, and calculates the Néel temperature and quantum critical point.

Findings

Néel temperature decreases with increasing t/U ratio.

Quantum critical point occurs at t/U=0.9.

Heat capacity peak at Néel temperature diminishes near quantum criticality.

Abstract

One-band Hubbard model with hopping parameter $t$ and Coulomb repulsion $U$ is considered at half filling. By means of the Schwinger bosons and slave Fermions representation of the electron operators and integrating out the spin-singlet Fermi fields an effective Heisenberg model with antiferromagnetic exchange constant is obtained for vectors which identifies the local orientation of the spin of the itinerant electrons. The amplitude of the spin vectors is an effective spin of the itinerant electrons accounting for the fact that some sites, in the ground state, are doubly occupied or empty. Accounting adequately for the magnon-magnon interaction the N\'{e}el temperature is calculated. When the ratio $\frac tU$ is small enough ($\frac tU\leq 0.09$) the effective model describes a system of localized electrons. Increasing the ratio increases the density of doubly occupied states which in turn decreases the effective spin and N\'{e}el temperature. The phase diagram in plane of temperature $\frac {T_N}{U}$ and parameter $\frac tU$ is presented. The quantum critical point ($T_N=0$) is reached at $\frac tU=0.9$. The magnons in the paramagnetic phase are studied and the contribution of the magnons' fluctuations to the heat capacity is calculated. At N\'{e}el temperature the heat capacity has a peak which is suppressed when the system approaches quantum critical point.