Design principles for shift current photovoltaics

Abstract

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

10 pages, 4 figures, AC and BMF share equal contributions. Published in Nature Communications

References in corpus (16)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Steric engineering of metal-halide perovskites with tunable optical band gaps
• Photovoltaic effect in few-layer black phosphorus PN junctions defined by local electrostatic gating
• Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus
• Revealing the role of organic cations in hybrid halide perovskites CH3NH3PbI3
• Integrated Digital Inverters Based on Two-dimensional Anisotropic ReS2 Field-effect Transistors
• Phosphorene analogues: isoelectronic two-dimensional group-IV monochalcogenides with orthorhombic structure
• Merging of Dirac points in a two-dimensional crystal
• Electrically Tunable Quasi-Flat Bands, Conductance and Field Effect Transistor in Phosphorene
• Toward a realistic description of multilayer black phosphorus: from $GW$ approximation to large-scale tight-binding simulations
• Optimal thermoelectric figure of merit of a molecular junction
• Valleytronics in Tin (II) Sulfide
• First-Principles Calculation of the Bulk Photovoltaic Effect in KNbO${}_3$ and (K,Ba)(Ni,Nb)O${}_{3-\delta }$
• First-Principles Calculation of the Bulk Photovoltaic Effect in the Polar Compounds LiAsS${}_{\text{2}}$, LiAsSe${}_{\text{2}}$, and NaAsSe${}_{\text{2}}$
• Generalized Bloch theorem and topological characterization
• Bulk photovoltaic effect enhancement via electrostatic control in layered ferroelectrics

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• Strong bulk photovoltaic effect in chiral crystal in the visible spectrum
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• Nonvanishing sub-gap photocurrent as a probe of lifetime effects
• Injection current in ferroelectric group-IV monochalcogenide monolayers
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• Generalized Wilson Loop Method for Nonlinear Light-Matter Interaction
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• Quantum Kinetic Theory of Nonlinear Optical Currents: Finite Fermi surface and Fermi sea contributions
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• Group-IV monochalcogenide monolayers: two-dimensional ferroelectrics with weak intra-layer bonds and a phosphorene-like monolayer dissociation energy
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• Intrinsic and extrinsic photogalvanic effects in twisted bilayer graphene
• Exciton Shift Currents: DC Conduction with Sub-bandgap Photo Excitations
• Nonlinear optical responses in multi-orbital topological superconductors
• Bulk photovoltaic effect in antiferromagnet: Role of collective spin dynamics
• Diverging shift current responses in the gapless limit of two-dimensional systems
• Photocurrent of exciton polaritons
• Systematic investigation of electrical contact barriers between different electrode metals and layered GeSe
• Two-color laser control of photocurrent and high harmonics in graphene
• Direct current in a stirred optical lattice
• Quantum Geometric Origin of the Intrinsic Nonlinear Hall Effect
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• Electrostatics of optical rectification in metallic particles
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