施主掺杂带隙材料中高次谐波的增强
Enhanced high-order harmonic generation in donor-doped band-gap materials
摘要：
我们发现，施主掺杂的带隙材料可以提高几个数量级的整体高次谐波产生（HHG）的效率相比，未掺杂和受体掺杂的材料。这种显着的增强，预测与时间相关的密度泛函理论模拟，起源于最高占据的杂质状态，具有孤立的能量位于带隙内。考虑到杂质态电子隧穿进入导带，然后按照其能带结构运动直至复合，用三步模型对杂质态高次谐波进行了合理化。除了HHG效率的改善，施主型掺杂的结果在谐波截止不同的未掺杂和受主掺杂的情况下，解释了半经典分析的杂质态HHG。
英文摘要：
We find that a donor-doped band-gap material can enhance the overall high-order harmonic generation (HHG) efficiency by several orders of magnitude, compared with undoped and acceptor-doped materials. This significant enhancement, predicted by time-dependent density functional theory simulations, originates from the highest-occupied impurity state which has an isolated energy located within the band gap. The impurity-state HHG is rationalized by a three-step model, taking into account that the impurity-state electron tunnels into the conduction band and then moves according to its band structure until recombination. In addition to the improvement of the HHG efficiency, the donor-type doping results in a harmonic cutoff different from that in the undoped and acceptor-doped cases, explained by semiclassical analysis for the impurity-state HHG.
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