Department of Physics, College of William and Mary, Williamsburg, VA 23187, USA.
J Phys Condens Matter. 2013 Oct 16;25(41):415602. doi: 10.1088/0953-8984/25/41/415602. Epub 2013 Sep 18.
Systems of fermions described by the three-dimensional (3D) repulsive Hubbard model on a cubic lattice have recently attracted considerable attention due to their possible experimental realization via cold atoms in an optical lattice. Analytical and numerical results are limited away from half-filling. We study the ground state of the doped system from weak to intermediate interaction strengths within the generalized Hartree-Fock approximation. The exact solution to the self-consistent-field equations in the thermodynamic limit is obtained and the ground state is shown to exhibit antiferromagnetic order and incommensurate spin-density waves (SDW). At low interaction strengths, the SDW has unidirectional character with a leading wavevector along the [100]-direction, and the system is metallic. As the interaction increases, the system undergoes a simultaneous structural and metal-to-insulator transition to a unidirectional SDW state along the [111]-direction, with a different wavelength. We systematically determine the real and momentum space properties of these states. The crossover from 3D to two dimensions (2D) is then studied by varying the inter-plane hopping amplitude, which can be experimentally realized by tuning the distance between a stack of square-lattice layers. Detailed comparisons are made between the exact numerical results and predictions from the pairing model, a variational ansatz based on the pairing of spins in the vicinity of the Fermi surface. Most of the numerical results can be understood quantitatively from the ansatz, which provides a simple picture for the nature of the SDW states.
由于通过冷原子在光晶格中的实验实现的可能性,最近,在立方格子上的三维(3D)排斥 Hubbard 模型描述的费米子系统引起了相当大的关注。远离半满时,分析和数值结果受到限制。我们在广义哈特ree-Fock 近似内研究了掺杂系统在弱到中等相互作用强度下的基态。在热力学极限下,获得了自洽场方程的精确解,并且显示基态表现出反铁磁序和非共调自旋密度波(SDW)。在低相互作用强度下,SDW 具有单向特征,主导波矢沿[100]-方向,并且系统是金属的。随着相互作用的增加,系统经历了结构和金属-绝缘体的同时转变,沿[111]-方向具有单向 SDW 状态,具有不同的波长。我们系统地确定了这些状态的实空间和动量空间特性。然后通过改变层间跃迁振幅来研究从 3D 到二维(2D)的转变,层间跃迁振幅可以通过调节正方形层堆栈之间的距离来实验实现。我们对精确数值结果和配对模型的预测进行了详细比较,配对模型是基于费米面附近的自旋配对的变分假设。大多数数值结果可以从假设中进行定量理解,这为 SDW 状态的性质提供了一个简单的图景。