论文标题
超导性,广义随机相近似和线性缩放方法
Superconductivity, generalized random phase approximation and linear scaling methods
论文作者
论文摘要
超流量是超导材料的重要观察到的重要性,因为它与Meissner效应的伦敦穿透深度有关。它可以根据圆环几何形状中的扭曲边界条件的大电位(或自由能)的变化进行计算。在这里,我们回顾了Bardeen-Cooper-Schrieffer平均场理论,该理论强调了其起源是巨大潜力的各种近似。变分参数是进入平均田野汉密尔顿的有效磁场,即Hartree-fock电位和配对电位。超流量的重量通常是通过忽略有效场对扭曲边界条件的依赖性来计算的。但是,最近在最近的作品中指出,这可能会导致非物理结果,尤其是在具有平坦频段的晶格模型的情况下。作为第一个结果,我们表明,考虑到有效场对扭曲边界条件的依赖性实际上导致了广义随机相位近似。我们的第二个结果是提供平均场宏伟电位,作为一颗粒子密度矩阵的显式函数。这使我们能够以透明的方式在广义随机相位近似中得出超流量重量的表达式。此外,就单粒子密度矩阵而言,将平均场理论重新拟合为一个良好的最小化问题,是朝着在电子结构理论背景下开发的线性缩放方法的超导系统应用的第一步。
The superfluid weight is an important observable of superconducting materials since it is related to the London penetration depth of the Meissner effect. It can be computed from the change in the grand potential (or free energy) in response to twisted boundary conditions in a torus geometry. Here we review the Bardeen-Cooper-Schrieffer mean-field theory emphasizing its origin as a variational approximation for the grand potential. The variational parameters are the effective fields that enter in the mean-field Hamiltonian, namely the Hartree-Fock potential and the pairing potential. The superfluid weight is usually computed by ignoring the dependence of the effective fields on the twisted boundary conditions. However, it has been pointed out in recent works that this can lead to unphysical results, particularly in the case of lattice models with flat bands. As a first result, we show that taking into account the dependence of the effective fields on the twisted boundary conditions leads in fact to the generalized random phase approximation. Our second result is providing the mean-field grand potential as an explicit function of the one-particle density matrix. This allows us to derive the expression for the superfluid weight within the generalized random phase approximation in a transparent manner. Moreover, reformulating mean-field theory as a well-posed minimization problem in terms of the one-particle density matrix is a first step towards the application to superconducting systems of the linear scaling methods developed in the context of electronic structure theory.