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While the basic principles and limitations of conventional solar cells arewell understood, relatively little attention has gone toward maximizing thepotential efficiency of photovoltaic devices based on shift currents. In thiswork, we outline simple design principles for the optimization of shiftcurrents for frequencies near the band gap, derived from the analysis of ageneral effective model. The use of a novel sum rule allows us to express theband edge shift current in terms of a few model parameters and to show itdepends explicitly on wavefunctions via Berry connections in addition tostandard band structure. We use our approach to identify two new classes ofshift current photovoltaics, ferroelectric polymer films and single-layerorthorhombic monochalcogenides such as GeS. We introduce tight-binding modelsfor these systems, and show that they exhibit the largest shift currentresponsivities at the band edge reported so far. Moreover, exploring theparameter space of these models we find photoresponsivities that can exceed$100$ mA/W. Our results show how the study of the shift current via effectivemodels allows one to improve the possible efficiency of devices based on thismechanism and better grasp their potential to compete with conventional solarcells.

Design principles for shift current photovoltaics