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arXiv 2007.08931physics.atom-phphysics.optics
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晶体动量分辨对带隙材料产生高次谐波的多个平台的贡献

Crystal-momentum-resolved contributions to multiple plateaus of high-order harmonic generation from band-gap materials

Chuan Yu, Hossein Iravani, Lars Bojer Madsen

备注：
13 pages, 7 figures, REVTeX 4.1
发表信息：
Phys. Rev. A 102, 033105 (2020)
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摘要：

我们研究了晶体动量分辨对带隙材料中高次谐波产生（HHG）的贡献，并确定了HHG光谱的第一和更高平台的相关初始晶体动量。我们这样做，通过使用一维线性链的时间依赖的密度泛函理论模型。我们引入了线性链模型无限扩展极限的自洽周期处理方法，这为在单激活电子近似下模拟和讨论完美晶体的高次谐波提供了一种方便的方法。多平台的光谱特征阐明了半经典k空间轨迹分析与多个导带考虑。在所考虑的激光相互作用制度中，超过第一个截止的多个平台被发现主要源于初始晶体动量远离伽马点（k = 0）的电子，而初始晶体动量位于伽马点周围的电子负责在第一个平台的谐波。我们还表明，类似的结果可以从计算中得到使用一个足够大的有限模型，证明模仿相应的无限周期极限的能带结构和HHG光谱。

英文摘要：

We study the crystal-momentum-resolved contributions to the high-order harmonic generation (HHG) in band-gap materials, and identify the relevant initial crystal momenta for the first and higher plateaus of the HHG spectra. We do so by using a time-dependent density-functional theory model of one-dimensional linear chains. We introduce a self-consistent periodic treatment for the infinitely extended limit of the linear chain model, which provides a convenient way to simulate and discuss the HHG from a perfect crystal beyond the single-active-electron approximation. The multi-plateau spectral feature is elucidated by a semiclassical k-space trajectory analysis with multiple conduction bands taken into account. In the considered laser-interaction regime, the multiple plateaus beyond the first cutoff are found to stem mainly from electrons with initial crystal momenta away from the Gamma point (k = 0), while electrons with initial crystal momenta located around the Gamma point are responsible for the harmonics in the first plateau. We also show that similar findings can be obtained from calculations using a sufficiently large finite model, which proves to mimic the corresponding infinite periodic limit in terms of the band structures and the HHG spectra.

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