HADOKEN: An open-source software package for predicting electron confinement effects in various nanowire geometries and configurations

Abstract

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.