HADOKEN: An open-source software package for predicting electron confinement effects in various nanowire geometries and configurations
HADOKEN: An open-source software package for predicting electron confinement effects in various nanowire geometries and configurations
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HADOKEN：一种开源软件包，用于预测各种纳米线几何形状和配置中的电子限制效应
DOI：
10.1016/j.cpc.2022.108299
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发表时间：
2022
影响因子：
6.3
通讯作者：
Wong, Bryan M.
中科院分区：
文献类型：
--
作者：
Chevalier, Cameron;Wong, Bryan M.
我们提供了一个开源的软件HADOKEN(High-Level Forms to Design，Optimize，and Keep Electrons in纳米线)，用于预测不同几何形状、任意数目的同心壳层、掺杂密度和外部边界条件下纳米线中的电子限制/局域效应。Hadoken代码是在MatLab编程环境中编写的，以帮助用户和从业者提高其可读性和一般可访问性。我们提供了几个关于各种不同纳米线几何形状、边界条件和掺杂密度的例子和输出，以演示HADOKEN软件包的能力。程序标题：HADOKENCPC库链接到程序files:https://doi.org/10.17632/jyzk4gfytx.1Licensing条款：GNU通用公共许可证3编程语言：MATLAB问题的性质：HADOKEN利用迭代有限元方法来求解具有任意横截面几何形状的异质核-壳纳米线的耦合薛定谔方程和泊松方程。用户友好的程序输出各种用户提供的输入参数的电子能量、密度、波函数和能带分布的图形结果。求解方法：使用有限元方法和稀疏矩阵线性代数迭代求解耦合的薛定谔方程和泊松方程。
We present an open-source software package, HADOKEN (High-level Algorithms to Design, Optimize, and Keep Electrons in Nanowires), for predicting electron confinement/localization effects in nanowires with various geometries, arbitrary number of concentric shell layers, doping densities, and external boundary conditions. The HADOKEN code is written in the MATLAB programming environment to aid in its readability and general accessibility to both users and practitioners. We provide several examples and outputs on a variety of different nanowire geometries, boundary conditions, and doping densities to demonstrate the capabilities of the HADOKEN software package. As such, the use of this predictive and versatile tool by both experimentalists and theorists could lead to further advances in both understanding and tailoring electron confinement effects in these nanosystems.Program summaryProgram Title:HADOKENCPC Library link to program files:https://doi.org/10.17632/jyzk4gfytx.1Licensing provisions:GNU General Public License 3Programming language:MATLABNature of problem:HADOKEN utilizes iterative finite element methods to solve coupled Schrödinger and Poisson equations for heterostructure core–shell nanowires with arbitrary cross-sectional geometries. The user-friendly program outputs graphical results of electronic energies, densities, wavefunctions, and band profiles for various user-supplied input parameters.Solution method:iterative solution of coupled Schrödinger and Poisson equations using finite element methods and sparse matrix linear algebra.
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