论文标题
磁性和电荷顺序以emery模型的基础状态 - 准确的数值结果
Magnetic and charge orders in the ground state of the Emery model -- accurate numerical results
论文作者
论文摘要
我们为三频Hubbard（Emery）模型进行了广泛的辅助场量子蒙特卡洛（AFQMC）计算，以研究铜层中铜氧平面的地面特性。在辅助场空间中采用尖端的AFQMC技术在辅助场空间中限制了限制，以控制标志问题，我们到达了包含约500个原子的超级电池，以捕获电荷和旋转订单的集体模式，并在热力学极限中表征了行为。与广义Hartree-fock计算的自洽方案相互接口允许AFQMC的高精度解决小能量尺度，这对于确定该系统中的复杂候选命令至关重要。我们提供有关电荷顺序，旋转顺序，动量分布和定位属性的详细信息，这是无掺杂方案的电荷转移能量的函数。与孔掺杂下的条纹和螺旋顺序相反，我们发现相应的1/8电子掺杂系统在三波段模型中表现出纯粹的抗铁磁序，与库库相图中电子和孔掺杂之间的不对称性一致。
We perform extensive auxiliary-field quantum Monte Carlo (AFQMC) calculations for the three-band Hubbard (Emery) model in order to study the ground-state properties of Copper-Oxygen planes in the cuprates. Employing cutting-edge AFQMC techniques with a self-consistent gauge constraint in auxiliary-field space to control the sign problem, we reach supercells containing around 500 atoms to capture collective modes in the charge and spin orders and characterize the behavior in the thermodynamic limit. The self-consistency scheme interfacing with generalized Hartree-Fock calculations allows high accuracy in AFQMC to resolve small energy scales, which is crucial for determining the complex candidate orders in such a system. We present detailed information on the charge order, spin order, momentum distribution, and localization properties as a function of charge-transfer energy for the the under-doped regime. In contrast with the stripe and spiral orders under hole-doping, we find that the corresponding 1/8 electron-doped system exhibits purely antiferromagnetic order in the three-band model, consistent with the asymmetry between electron and hole-doping in the phase diagram of cuprates.
