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Structure gauges and laser gauges for the semiconductor Bloch equations in high-order harmonic generation in solids

DOI:10.1103/PhysRevA.101.053411 期刊:Physical Review A 出版年份:2020 更新时间:2025-09-23 15:21:01
摘要: The semiconductor Bloch equations (SBEs) are routinely used for simulations of strong-field laser-matter interactions in condensed matter. In systems without inversion or time-reversal symmetries, the Berry connections and transition dipole phases (TDPs) must be included in the SBEs, which in turn requires the construction of a smooth and periodic structure gauge for the Bloch states. Here, we illustrate a general approach for such a structure-gauge construction for topologically trivial systems. Furthermore, we investigate the SBEs in the length and velocity gauges and discuss their respective advantages and shortcomings for the high-harmonic generation (HHG) process. We find that in cases where we require dephasing or separation of the currents into interband and intraband contributions, the length-gauge SBEs are computationally more efficient. In calculations without dephasing and where only the total current is needed, the velocity-gauge SBEs are structure-gauge independent and are computationally more efficient. We employ two systems as numerical examples to highlight our findings: a one-dimensional model of ZnO and the two-dimensional monolayer hexagonal boron nitride (hBN). The omittance of Berry connections or TDPs in the SBEs for hBN results in nonphysical HHG spectra. The structure- and laser-gauge considerations in the current work are not restricted to the HHG process and are applicable to all strong-field matter simulations with SBEs.
作者: Lun Yue,Mette B. Gaarde
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Investigating the effects of structure and laser gauge choices on the high-harmonic generation process in solids using semiconductor Bloch equations.

The study concludes that length-gauge SBEs are computationally more efficient when dephasing and separation of currents are required, while velocity-gauge SBEs are more efficient when only the total current is needed. The inclusion of Berry connections and TDPs is crucial for accurate simulations in systems without inversion or time-reversal symmetries.

The study is limited to topologically trivial systems and does not address degenerate manifolds of energy bands. The computational complexity increases with the inclusion of dephasing and separation of currents.

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