论文标题

迈向表面轨道磁化理论

Towards a theory of surface orbital magnetization

论文作者

Seleznev, Daniel, Vanderbilt, David

论文摘要

散装轨道磁化的理论已经在基于浆果曲率和相关量的相互空间中制定,以及在实时空间中,根据量子机械局部标记的空间平均值。在这里,我们考虑了三维抗铁磁材料,具有消失的体积但非零的表面轨道磁化。我们询问表面磁化的表面正常分量是否已很好地定义,如果是这样,如何计算它。作为与该数量相对应的物理可观察到的,我们确定了沿两个方面共享的铰链运行的宏观电流。但是,铰链电流仅限于相邻的刻面上表面磁化的差异,从而产生了潜在的歧义。通过进行对称分析,我们发现只有表现出伪尺度对称性的晶体可以在经典水平的表面上允许定义明确的磁化。然后,我们通过应用于量子本地标记的粗粒程序来探讨计算表面磁化的可能性。我们表明,存在局部标记的多种表达式,并应用约束来滤除潜在有意义的候选人。使用几个紧密结合模型作为我们的理论测试床和几个潜在标记,我们计算了表面磁化板的板几何形状,并将其预测与对杆几何形状的宏观铰链电流的明确计算进行比较。我们发现,只有特定形式的标记始终预测正确的铰链电流。

The theory of bulk orbital magnetization has been formulated both in reciprocal space based on Berry curvature and related quantities, and in real space in terms of the spatial average of a quantum mechanical local marker. Here we consider a three-dimensional antiferromagnetic material having a vanishing bulk but a nonzero surface orbital magnetization. We ask whether the surface-normal component of the surface magnetization is well defined, and if so, how to compute it. As the physical observable corresponding to this quantity, we identify the macroscopic current running along a hinge shared by two facets. However, the hinge current only constrains the difference of the surface magnetizations on the adjoined facets, leaving a potential ambiguity. By performing a symmetry analysis, we find that only crystals exhibiting a pseudoscalar symmetry admit well-defined magnetizations at their surfaces at the classical level. We then explore the possibility of computing surface magnetization via a coarse-graining procedure applied to a quantum local marker. We show that multiple expressions for the local marker exist, and apply constraints to filter out potentially meaningful candidates. Using several tight-binding models as our theoretical test bed and several potential markers, we compute surface magnetizations for slab geometries and compare their predictions with explicit calculations of the macroscopic hinge currents of rod geometries. We find that only a particular form of the marker consistently predicts the correct hinge currents.

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