Abstract We present a general-purpose numerical quantum mechanical solver using Schrodinger-Poisson equations called Aestimo 1D. The solver provides self-consistent solutions to the Schrodinger and Poisson equations for a given semiconductor heterostructure built with materials including elementary, binary, ternary, and quaternary semiconductors and their doped structures. The software can be used to calculate electronic band structures of heterostructures either using a single-band or multi-band k.p envelope function approximation. The software is fully open-source and it is released under the GNU general public license version 3 for full freedom of usage for applications in the fields of nano-electronics, optoelectronics, and solid-state device simulations.

中文翻译：

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通用开源一维自洽薛定谔-泊松求解器：Aestimo 1D

摘要 我们提出了一种使用薛定谔-泊松方程的通用数值量子力学求解器，称为 Aestimo 1D。求解器为给定半导体异质结构的薛定谔方程和泊松方程提供自洽解，该半导体异质结构由包括基本、二元、三元和四元半导体及其掺杂结构在内的材料构成。该软件可用于使用单波段或多波段 kp 包络函数近似计算异质结构的电子能带结构。该软件是完全开源的，在 GNU 通用公共许可证第 3 版下发布，可完全自由地使用纳米电子、光电子和固态设备模拟领域的应用程序。