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We provide a tight-binding model parametrization for black phosphorus (BP)with an arbitrary number of layers. The model is derived from partiallyself-consistent $GW_0$ approach, where the screened Coulomb interaction $W_0$is calculated within the random phase approximation on the basis of densityfunctional theory. We thoroughly validate the model by performing a series ofbenchmark calculations, and determine the limits of its applicability. Theapplication of the model to the calculations of electronic and opticalproperties of multilayer BP demonstrates good quantitative agreement with\emph{ab initio} results in a wide energy range. We also show that the proposedmodel can be easily extended for the case of external fields, yielding theresults consistent with those obtained from first principles. The model isexpected to be suitable for a variety of realistic problems related to theelectronic properties of multilayer BP including different kinds of disorder,external fields, and many-body effects.

Toward a realistic description of multilayer black phosphorus: from $GW$ approximation to large-scale tight-binding simulations