{"title":"微观非线性光学响应:用 Floquet-Bloch 公式进行分析和计算","authors":"Daria Popova-Gorelova, Robin Santra","doi":"10.1063/4.0000220","DOIUrl":null,"url":null,"abstract":"We analyze microscopic nonlinear optical response of periodic structures within the Floquet–Bloch formalism. The analysis is focused on the real-space distributions of optically induced charge and electron current density within the unit cell of a crystal. We demonstrate that the time-reversal symmetry of a crystal determines the phases of the temporal oscillations of these distributions. We further analyze their spatial symmetries and connection to macroscopic optical response. We illustrate our study with ab initio calculations that combine density functional theory with the Floquet–Bloch formalism. The calculations provide time-dependent optically induced charge distributions and electron current densities within the unit cells of a crystal with inversion symmetry MgO and a crystal without inversion symmetry GaAs in response to a strong-field excitation. The real-space, microscopic view on nonlinear optical response provides insightful information about the strong field–matter interaction.","PeriodicalId":21992,"journal":{"name":"Structural Dynamics","volume":"3 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Microscopic nonlinear optical response: Analysis and calculations with the Floquet–Bloch formalism\",\"authors\":\"Daria Popova-Gorelova, Robin Santra\",\"doi\":\"10.1063/4.0000220\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We analyze microscopic nonlinear optical response of periodic structures within the Floquet–Bloch formalism. The analysis is focused on the real-space distributions of optically induced charge and electron current density within the unit cell of a crystal. We demonstrate that the time-reversal symmetry of a crystal determines the phases of the temporal oscillations of these distributions. We further analyze their spatial symmetries and connection to macroscopic optical response. We illustrate our study with ab initio calculations that combine density functional theory with the Floquet–Bloch formalism. The calculations provide time-dependent optically induced charge distributions and electron current densities within the unit cells of a crystal with inversion symmetry MgO and a crystal without inversion symmetry GaAs in response to a strong-field excitation. The real-space, microscopic view on nonlinear optical response provides insightful information about the strong field–matter interaction.\",\"PeriodicalId\":21992,\"journal\":{\"name\":\"Structural Dynamics\",\"volume\":\"3 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-02-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Structural Dynamics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1063/4.0000220\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Structural Dynamics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1063/4.0000220","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
我们在 Floquet-Bloch 形式主义中分析了周期性结构的微观非线性光学响应。分析的重点是晶体单位室内光诱导电荷和电子电流密度的实空间分布。我们证明,晶体的时间反转对称性决定了这些分布的时间振荡相位。我们进一步分析了它们的空间对称性以及与宏观光学响应的联系。我们通过结合密度泛函理论和 Floquet-Bloch 形式主义的 ab initio 计算来说明我们的研究。计算提供了具有反转对称性的氧化镁晶体和不具有反转对称性的砷化镓晶体在强场激励下单位室内随时间变化的光诱导电荷分布和电子电流密度。非线性光学响应的实空间微观视图提供了有关强场-物质相互作用的深刻信息。
Microscopic nonlinear optical response: Analysis and calculations with the Floquet–Bloch formalism
We analyze microscopic nonlinear optical response of periodic structures within the Floquet–Bloch formalism. The analysis is focused on the real-space distributions of optically induced charge and electron current density within the unit cell of a crystal. We demonstrate that the time-reversal symmetry of a crystal determines the phases of the temporal oscillations of these distributions. We further analyze their spatial symmetries and connection to macroscopic optical response. We illustrate our study with ab initio calculations that combine density functional theory with the Floquet–Bloch formalism. The calculations provide time-dependent optically induced charge distributions and electron current densities within the unit cells of a crystal with inversion symmetry MgO and a crystal without inversion symmetry GaAs in response to a strong-field excitation. The real-space, microscopic view on nonlinear optical response provides insightful information about the strong field–matter interaction.