Abstract
Finding optimal multi-layer heterostructure configurations that result in desired current–voltage characteristics requires physical control of electron scattering processes. It is shown how a one-dimensional tight-binding Hamiltonian combined with the adjoint method may be employed to explore this non-convex and non-intuitive design space. Such optimal parameter exploration has application to study of vertical electron transport through van der Waals stacked few-layer quantum materials and nano-scale single-crystal semiconductor heterostructures.
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