Efficient self-consistent pseudopotential calculation of nanostructured devices - art. no. 045314

摘要

We have developed a full-band pseudopotential-based approach to describe semiconductor nanostructures. The method relies on the bulk Bloch functions expansion of the system wave function that guarantees an efficient integration of the full-band approach in self-consistent schemes where Schrodinger and Poisson equations are solved iteratively. In order to gain efficiency of the method a suitable separation between structure-dependent and material-dependent contributions to the system Hamiltonian is presented. Results are shown for typical nanostructures. [References: 45]