论文标题

Weyl Semimetals,TAA和NBA的全面各向异性线性光学特性

Comprehensive Anisotropic Linear Optical Properties of Weyl Semimetals, TaAs and NbAs

论文作者

Zu, Rui, Gu, Mingqiang, Min, Lujin, Hu, Chaowei, Ni, Ni, Mao, Zhiqiang, Rondinelli, James M., Gopalan, Venkatraman

论文摘要

TAA和NBA是具有许多有趣的光学特性的最早鉴定的Weyl半法,例如手性依赖性光激发和巨大的第二次谐波生成(SHG)。线性和非线性光学器件已被用作这些晶体中的Weyl物理学的工具。在这里,我们扩展了这些研究以解决两个重要点:确定完整的各向异性介电响应,并探索它们是否以及如何揭示必需的Weyl物理学。我们首次通过结合光谱椭圆法和密度功能理论(DFT)来确定TAA和NBA的完整各向异性介电函数。据报道,参数化的洛伦兹振荡器在1.2-6 eV(实验)和0-6 eV(DFT)中报道,它们之间显示了良好的一致性。据报道,线性和非线性光学特性都揭示了Weyl物理学。我们建议,来自琐碎带的强光学共振是先前在这些能量下报道的大型光学第二次谐波产生的可能起源。此外,通过将围绕Weyl锥的小K空间与总线性介电函数进行比较,我们发现这些贡献是高度各向异性的,占总电介质函数低于0.5 eV的25%;这些贡献在1EV以上是可忽略的。因此,使用光学技术对Weyl物理学进行研究也需要非常低的能量,即使在那里,还需要进行仔细的评估,以区分韦伊尔带的贡献与琐碎谱带的主要贡献,以及对总介质功能的drude响应。

TaAs and NbAs are two of the earliest identified Weyl semimetals that possess many intriguing optical properties, such as chirality-dependent optical excitations and giant second harmonic generation (SHG). Linear and nonlinear optics have been employed as tools to probe the Weyl physics in these crystals. Here we extend these studies to address two important points: determining the complete anisotropic dielectric response, and to explore if and how they can reveal essential Weyl physics. For the first time, we determine the complete anisotropic dielectric functions of TaAs and NbAs by combining spectroscopic ellipsometry and density functional theory (DFT). Parameterized Lorentz oscillators are reported from 1.2-6 eV (experiment) and 0-6 eV (DFT), and good agreement is shown between them. Both linear and nonlinear optical properties have been reported to reveal Weyl physics. We suggest that strong optical resonances from trivial bands are the likely origin of the large optical second harmonic generation previously reported at these energies. Furthermore, by comparing the contribution of a small k-space centered around the Weyl cones to the total linear dielectric function, we find that these contributions are highly anisotropic and are <25% of the total dielectric function below 0.5 eV; above 1eV, these contributions are negligible. Thus, the study of Weyl physics using optical techniques requires very low energies and even there, a careful assessment is required in distinguishing the much smaller contributions of the Weyl bands from the dominant contributions of the trivial bands and Drude response to the total dielectric function.

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