BinPo

The BinPo code was written and developed by Emanuel Martinez under the supervision of Flavio Bruno.

BinPo papers



BinPo: An open-source code to compute the band structure of two-dimensional electron systems. 

We introduce BinPo, an open-source Python code to compute electronic properties of two-dimensional electron systems. Its usage is focused on the ABO3 perovskite structure based systems, such as SrTiO3 and KTaO3, because of their increasing impact in materials community and possible applications in spintronic devices. BinPo has a Schrödinger-Poisson solver to obtain the self-consistent potential energy in a slab system. The tight binding slab Hamiltonian of the system is created from the transfer integrals in the maximally localized Wannier functions basis, thus reaching a higher accuracy than conventional tight binding methods. The band structure, energy slices, and other properties, along with different projections and orientations can be computed. High resolution and publishable figures of the simulations can be generated. In BinPo, priority has been given to ease-of-use, efficiency, readability and modularity, therefore becoming suitable to produce reliable electronic structures simulations at low computational cost. 

BinPo paper with examples, Computer Physics Communications 284, 108595 (2023)

BinPo files to download on github