Open-source bandstructure models of interdiffusion, impurity and exciton states for the QWWAD v1.4 simulation suite

Abstract

The vast majority of high-quality software for simulating semiconductor nanostructures (e.g., [1]) is supplied under a proprietary license and its source code cannot be studied, modified or redistributed by its users. The open-source project, Quantum Wells, Wires and Dots (QWWAD) [2] is a free, non-commercial community-focused resource, which accompanies the new 4th edition of the eponymous textbook [3]. Previously described features in QWWAD include numerical Schrodinger/Poisson solvers in generic 1D potentials [e.g., Fig. 1(a)], quasi-analytical and empirical pseudopotential calculations of the band-structure in quantum wires and dots, and scattering calculations for interactions with impurities, phonons, interface roughness, alloy disorder and carrier–carrier processes. We describe new tools, included in the latest release (QWWAD v1.4), for modelling the perturbed quantum-confined states within 2D heterostructures resulting from interdiffusion, impurities and excitonic contribution