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Tight binding ARPES for semiconductors

The code is currently private because the scientific work is yet to be published, it can be made available upon request.

A Python package for simulating angle-resolved photoemission spectroscopy (ARPES) intensity patterns from semiconductor bulk crystals and delta-layer heterostructures. The simulation combines an empirical sp3s* tight-binding band structure (with optional spin–orbit coupling and second-nearest-neighbour hopping) with analytic photoemission matrix elements built from hydrogenic atomic orbital Fourier transforms.

The code was developed to support the interpretation of soft- and hard-X-ray ARPES experiments on delta-doped silicon, but the framework is general enough to handle any zinc-blende or diamond-structure semiconductor for which Slater–Koster parameters are available.

What the simulation does