Multiband Quantum Transmitting Boundary Method for Non-orthogonal Basis

Abstract

We generalize the Multiband Quantum Transmitting Boundary Method (MQTBM) for computing transmission coefficients in heterostructure to tight-binding-like band structure models with non-orthogonal basis and multiple neighbor interactions. We implement this method based on the newly developed planar-basis pseudopotential method which uses the generalized planar Wannier function basis. We demonstrate the method by computing transmission coefficients for a GaAs/AlAs double barrier structure.