论文标题

从磁电响应到光学活性

From magnetoelectric response to optical activity

论文作者

Mahon, Perry T., Sipe, J. E.

论文摘要

我们将极化和磁化的微观理论应用于零温度下的晶体绝缘子,并考虑线性响应对空间变化,时间依赖性电磁场的轨道电子贡献。电荷和电流密度期望值通常取决于微观极化和磁化场,以及微观的自由电荷和电流密度。但是,后者的贡献消失了我们考虑的绝缘体类别的线性响应。因此,我们只需要考虑前者,可以将其分解为“位点”极化和磁化场,从中可以构建“位置多极矩”。宏观极化和磁化场随后发生,我们确定对它们的相关贡献;对于晶格常数,电磁场几乎没有变化,这些是每单位体积的电和磁偶极矩,以及单位体积的电二极管矩。对光活性和相关磁光现象的描述是从这些宏观量对电磁场的响应中进行的,而在本文中,我们在独立的粒子和冷冻式近似值中起作用,可以用这种策略来描述光学旋转分散和圆形二色。描述磁电效应的早期表达式被恢复为我们更通用方程的零频率限制。由于我们的位点数量是通过使用浮力功能引入的,因此位点多极矩及其宏观类似物通常是依赖性的。但是,正如物理上预期的那样,所得的宏观电荷和当前密度以及它们所领导的光学效应是不变的。

We apply a microscopic theory of polarization and magnetization to crystalline insulators at zero temperature and consider the orbital electronic contribution of the linear response to spatially varying, time-dependent electromagnetic fields. The charge and current density expectation values generally depend on both the microscopic polarization and magnetization fields, and on the microscopic free charge and current densities. But contributions from the latter vanish in linear response for the class of insulators we consider. Thus we need only consider the former, which can be decomposed into "site" polarization and magnetization fields, from which "site multipole moments" can be constructed. Macroscopic polarization and magnetization fields follow, and we identify the relevant contributions to them; for electromagnetic fields varying little over a lattice constant these are the electric and magnetic dipole moments per unit volume, and the electric quadrupole moment per unit volume. A description of optical activity and related magneto-optical phenomena follows from the response of these macroscopic quantities to the electromagnetic field and, while in this paper we work within the independent particle and frozen-ion approximations, both optical rotary dispersion and circular dichroism can be described with this strategy. Earlier expressions describing the magnetoelectric effect are recovered as the zero frequency limit of our more general equations. Since our site quantities are introduced with the use of Wannier functions, the site multipole moments and their macroscopic analogs are generally gauge dependent. However, the resulting macroscopic charge and current densities, together with the optical effects to which they lead, are gauge invariant, as would be physically expected.

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