Exciton superfluidity in two-dimensional heterostructures from first principles: Importance of material-specific screening

van der Waal heterostructures can host long-lived excitons that can condense and exhibit superfluidity at low temperatures. In this paper, H\o{}jlund, Grovn and coworkers derive a first-principles framework, based on existing open-source codes, that can be used to model these systems. This framework is then used to evaluate the exciton binding energies and superfluid properties of hundreds of different heterostructures. Based on these calculations, the authors propose optimized materials with superior properties compared to the standard platforms.