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首页> 外文期刊>Physical review.B.Condensed matter and materials physics >Magnetic and charge orders in the ground state of the Emery model: Accurate numerical results
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Magnetic and charge orders in the ground state of the Emery model: Accurate numerical results

机译：磁性模型的地面状态下的磁性和充电订单：准确的数值结果

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摘要

We perform extensive auxiliary-field quantum Monte Carlo (AFQMC) calculations for the three-band Hub-bard (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 ≈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 underdoped 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.
机译：我们对三频带集线器（Emery）模型进行了广泛的辅助场云墨西哥卡罗（AFQMC）计算，以研究铜酸盐中铜氧平面的地面性质。采用尖端AFQMC技术在辅助场空间中具有自一致的仪表约束来控制标志问题，我们达到含有≈500原子的超级胶片，以捕获充电和旋转顺序中的集体模式，并表征热力学极限中的行为。与广义Hartree-Fock计算的自我一致性方案接口允许在AFQMC中的高精度来解决小的能量尺度，这对于确定这种系统中的复杂候选订单至关重要。我们呈现有关电荷顺序，旋转顺序，动量分布和定位性能的详细信息，作为推动的制度的电荷转移能量的函数。与孔掺杂下的条纹和螺旋顺序相比，我们发现相应的1/8电子掺杂系统在三带模型中呈纯粹的反铁磁顺序，与铜酸酯相图中的电子和孔掺杂之间的不对称一致。

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  • 来源
    《Physical review.B.Condensed matter and materials physics》 |2020年第21期|214512.1-214512.15|共15页
  • 作者

    Adam Chiciak; Ettore Vitali; Shiwei Zhang;

  • 作者单位

    Department of Physics The College of William & Mary Williamsburg Virginia 23187 USA;

    Department of Physics The College of William & Mary Williamsburg Virginia 23187 USA Department of Physics California State University Fresno Fresno California 93740 USA;

    Department of Physics The College of William & Mary Williamsburg Virginia 23187 USA Center for Computational Quantum Physics Flatiron Institute 162 5th Avenue New York New York 10010 USA;

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