纤锌矿系统中的高效量子点$\mathbf{k}\cdot\mathbf{p}$，包括空间变化的弹性和介电常数以及平滑的合金轮廓
Efficient quantum dot $\mathbf{k}\cdot\mathbf{p}$ in wurtzite systems including spatially varying elastic and dielectric constants and smooth alloy profile
摘要：
我们提出了基于傅立叶空间的方法来计算具有连续合金剖面的纤锌矿量子点系统的电子结构。我们将空间变化的弹性和介电常数的应变和压电电位计算。提出了一种在计算的各个方面都采用光滑合金型材的方法。我们证明了我们的方法的情况下，一维InGaN量子点阵列，并显示包括这些空间变化的参数在设备的建模的重要性。我们证明了最低束缚态能量的收敛是由最大的波矢量在构建状态所确定的良好的近似。我们还提出了一种新的方法耦合应变到$\mathbf{k}\cdot\mathbf{p}$哈密顿量，大大降低了计算成本产生的哈密顿量。
英文摘要：
We present Fourier-space based methods to calculate the electronic structure of wurtzite quantum dot systems with continuous alloy profiles. We incorporate spatially varying elastic and dielectric constants in strain and piezoelectric potential calculations. A method to incorporate smooth alloy profiles in all aspects of the calculations is presented. We demonstrate our methodology for the case of a 1D InGaN quantum dot array and show the importance of including these spatially varying parameters in the modeling of devices. We demonstrate that convergence of the lowest bound state energies is to good approximation determined by the largest wave vector used in constructing the states. We also present a novel approach of coupling strain into the $\mathbf{k}\cdot\mathbf{p}$ Hamiltonian, greatly reducing the computational cost of generating the Hamiltonian.
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