半导体纳米结构中高次谐波产生的双粒子紧束缚描述
Two-Particle Tight-Binding Description of Higher-Harmonic Generation in Semiconductor Nanostructures
摘要：
我们发展了一个量子力学理论来描述半导体纳米结构的光学响应，特别强调高次谐波的产生。基于紧束缚方法，我们考虑了所有的两粒子关联，从而描述了电子和空穴的产生、演化和湮灭。在限制的情况下，散装材料，我们获得了相同的精度，通过解决完善的半导体布洛赫方程。对于有限范围的半导体结构，我们也将周围的空间，从而使电子发射的描述。此外，我们将不同的弛豫机制，如失相和阻尼的带内电流。此外，我们的描述的优点在于，从极其精确的材料数据开始，例如，从由密度泛函理论计算获得的紧束缚参数，我们获得了与可比较的从头算方法相比在计算上挑战性和资源需求小得多的数值描述，例如，基于含时密度泛函理论的那些。
英文摘要：
We develop a quantum mechanical theory to describe the optical response of semiconductor nanostructures with a particular emphasis on higher-order harmonic Generation. Based on a tight-binding approach we take all two-particle correlations into account thus describing the creation, evolution and annihilation of electron and holes. In the limiting case of bulk materials, we obtain the same precision as that achieved by solving the well-established semiconductor Bloch Equations. For semiconducting structures of finite extent, we also incorporate the surrounding space thus enabling a description of electron emission. In addition, we incorporate different relaxation mechanisms such as dephasing and damping of intraband currents. Moreover, the advantage of our description is that, starting from extremely precise material data as e.g., from tight-binding parameters obtained from density-functional-theory calculations, we obtain a numerical description being by far less computationally challenging and resource-demanding as comparable ab-initio approaches, e.g., those based on time-dependent density functional theory.
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