论文标题

Shaarp:一种用于分析和数值建模的开源软件包,对各向异性晶体中的第二次谐波产生

SHAARP: An Open-Source Package for Analytical and Numerical Modeling of Optical Second Harmonic Generation in Anisotropic Crystals

论文作者

Zu, Rui, Wang, Bo, He, Jingyang, Wang, Jian-Jun, Weber, Lincoln, Chen, Long-Qing, Gopalan, Venkatraman

论文摘要

光学第二次谐波生成是二阶非线性过程,将给定频率的两个光子结合到第三个光子中,频率是第三个光子。由于对称性约束,它被广泛用作敏感探针,以检测破裂的反转对称性和局部极性顺序。电 - 偶极性SHG响应的分析模型对于从实验中提取材料的基本特性至关重要。然而,当探测的晶体具有低散装晶体对称性(具有低对称表面方向)时,复杂性在分析模型中急剧累积,表现出吸收和分散体,并且由多个接口组成。结果,有关新材料的SHG建模的文献中,景观在很大程度上不均匀,涉及许多近似值和广泛的(IN)精度,从而导致了相当分散的SHG非线性易感性数据集。为了简化此过程的可靠性和准确性,我们开发了一个开源软件包,称为“各向异性旋转极化仪(SHAARP)的第二次谐波分析(SHAARP),该包装得出了分析溶液,并从单个界面中对均质晶体进行反射SHG的数值模拟。实施了SHG建模中的五个关键概括,包括所有晶体对称性,向三斜胶质,任何晶体方向,复杂的介电张量(折射率)带有频率分散,以及光的一般极化状态。 Shaarp可以为多种材料系统的SHG响应进行准确的各向异性建模。该方法可扩展到多个接口。该代码可以从https://github.com/rui-zu/shaarp免费下载

Optical second harmonic generation is a second-order nonlinear process that combines two photons of a given frequency into a third photon at twice the frequency. Due to the symmetry constraints, it is widely used as a sensitive probe to detect broken inversion symmetry and local polar order. Analytical modeling of the electric-dipole SHG response is essential to extract fundamental properties of materials from experiments. However, complexity builds up dramatically in the analytical model when the probed crystal is of a low bulk crystal symmetry, with a low-symmetry surface orientation, exhibits absorption and dispersion, and consists of multiple interfaces. As a result, there is a largely uneven landscape in the literature on the SHG modeling of new materials, involving numerous approximations and a wide range of (in)accuracies, leading to a rather scattered dataset of reported SHG nonlinear susceptibility. Towards streamlining the reliability and accuracy of this process, we have developed an open-source package called the Second Harmonic Analysis of Anisotropic Rotational Polarimetry (SHAARP) which derives analytical solutions and performs numerical simulations of reflection SHG from a single interface for homogeneous crystals. Five key generalizations in SHG modeling are implemented, including all crystal symmetries down to triclinic, any crystal orientation, complex dielectric tensor (refractive indices) with frequency dispersion, and general polarization states of the light. SHAARP enables accurate anisotropic modeling of SHG response for a broad range of materials systems. The method is extendible to multiple interfaces. The code is free to download from https://github.com/Rui-Zu/SHAARP

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