SHORYUKEN: An Open-Source Software Package to Incorporate Nonlocal Exchange Effects for Electrons in Nanowires

We present an open-source software package, SHORYUKEN (Streamlined High-level Operations in Real-space to Yield, Understand, and Keep Exchange in Nanowires) for incorporating nonlocal exchange effects in nanowires with various geoemetrie, doping densities, and external boundary conditions. Calculation shows the crucial impacts of the exchange on the energy spectrum, the number of occupied states, and electron distributions of the nanosystem. In addition, we find that geometry size combined with doping density strongly influences the behaviors of electron gases. Furthermore, for the Ga-face triangular nanowires with polarizations, we consider that the origin of the electron gas is from the surface donor states and show the dependence of surface barrier height and electron density on the shell thickness. Finally, our approach is implemented with MATLAB in the SHORYUKEN open-source software package, which is made freely accessible and can be used by researchers to study the formation of electron gas.