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Bulletin of the American Physical Society

Thermodynamics and Magnetism of the Fermi-Hubbard Hamiltonian 2D-3D Crossover

Rick Mukherjee, Thereza Paiva, Richard T. Scalettar, Randall G. Hulet, Kaden R. A. Hazzard

Published Jun 7, 2017• 0 citations
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The realization of antiferromagnetic (AF) correlations in ultracold fermionic atoms on an optical lattice is a significant achievement. Experiments have been carried out in one, two, and three dimensions, and have also studied anisotropic configurations with stronger tunneling in some lattice directions. Such anisotropy is relevant to the physics of cuprate superconductors and other strongly correlated materials. Moreover, this anisotropy might be harnessed to enhance AF order. Here we numerically investigate, using the determinant quantum Monte Carlo method, a simple realization of anisotropy in the three-dimensional (3D) Hubbard model in which the tunneling between planes, ${t}_{\ensuremath{\perp}}$, is unequal to the intraplane tunneling $t$. This model interpolates between the three-dimensional isotropic (${t}_{\ensuremath{\perp}}=t$) and two-dimensional (2D; ${t}_{\ensuremath{\perp}}=0$) systems. We show that at fixed interaction strength to tunneling ratio ($U/t$), anisotropy can enhance the magnetic structure factor relative to both 2D and 3D results. However, this enhancement occurs at interaction strengths below those for which the N\'eel temperature ${T}_{\mathrm{N}\stackrel{\ifmmode \acute{}\else \'{}\fi{}}{\mathrm{e}}\mathrm{el}}$ is largest, in such a way that the structure factor cannot be made to exceed its value in isotropic 3D systems at the optimal $U/t$. We characterize the 2D-3D crossover in terms of the magnetic structure factor, real space spin correlations, number of doubly occupied sites, and thermodynamic observables. An interesting implication of our results stems from the entropy's dependence on anisotropy. As the system evolves from 3D to 2D, the entropy at a fixed temperature increases. Correspondingly, at fixed entropy, the temperature will decrease going from 3D to 2D. This suggests a cooling protocol in which the dimensionality is adiabatically changed from 3D to 2D.

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The realization of antiferromagnetic (AF) correlations in ultracold fermionic atoms on an optical lattice is a significant achievement. Experiments have been carried out in one, two, and three dimensions, and have also studied anisotropic configurations with stronger tunneling in some lattice directions. Such anisotropy is relevant to the physics of cuprate superconductors and other strongly correlated materials. Moreover, this anisotropy might be harnessed to enhance AF order. Here we numerically investigate, using the determinant quantum Monte Carlo method, a simple realization of anisotropy in the three-dimensional (3D) Hubbard model in which the tunneling between planes, ${t}_{\ensuremath{\perp}}$, is unequal to the intraplane tunneling ttt. This model interpolates between the three-dimensional isotropic (${t}_{\ensuremath{\perp}}=t$) and two-dimensional (2D; ${t}_{\ensuremath{\perp}}=0$) systems. We show that at fixed interaction strength to tunneling ratio (U/tU/tU/t), anisotropy can enhance the magnetic structure factor relative to both 2D and 3D results. However, this enhancement occurs at interaction strengths below those for which the N\'eel temperature ${T}_{\mathrm{N}\stackrel{\ifmmode \acute{}\else \'{}\fi{}}{\mathrm{e}}\mathrm{el}}$ is largest, in such a way that the structure factor cannot be made to exceed its value in isotropic 3D systems at the optimal U/tU/tU/t. We characterize the 2D-3D crossover in terms of the magnetic structure factor, real space spin correlations, number of doubly occupied sites, and thermodynamic observables. An interesting implication of our results stems from the entropy's dependence on anisotropy. As the system evolves from 3D to 2D, the entropy at a fixed temperature increases. Correspondingly, at fixed entropy, the temperature will decrease going from 3D to 2D. This suggests a cooling protocol in which the dimensionality is adiabatically changed from 3D to 2D.
The thermodynamic properties of a nonrelativistic free-electron Fermi gas is of fundamental interest in condensed matter physics. Properties previously studied in three-dimensions (3D) in the low- and high-temperature limits include the internal energy, heat capacity, zero-field magnetic spin susceptibility, and pressure. Here we report solutions for the temperature dependence spanning these two temperature regimes of the chemical potential, internal energy, magnetic susceptibility, and the heat capacity at constant volume in 1D, 2D, and 3D. Also calculated are the pressure, enthalpy, heat capacity at constant pressure, isothermal compressibility, and thermal expansion coefficient versus temperature in 2D and 3D. Of primary interest here are the detailed dimension-dependent crossovers of these properties between the degenerate and nondegenerate temperature regime, which are graphically illustrated for each of the above properties.