Simulation of nanostructure-based and ultra-thin film solar cell devices beyond the classical picture

In this paper, an optoelectronic device simulation framework valid for arbitrary spatial variation of electronic potentials and optical modes, and for transport regimes ranging from ballistic to diffusive, is used to study non-local photon absorption, photocurrent generation and carrier extraction in ultra-thin film and nanostructure-based solar cell devices at the radiative limit. Among the effects that are revealed by the microscopic approach and which are inaccessible to macroscopic models is the impact of structure, doping or bias induced nanoscale potential variations on the local photogeneration rate and the photocarrier transport regime.Comment: 15 pages, 10 figure

Quantum-kinetic perspective on photovoltaic device operation in nanostructure-based solar cells

The implementation of a wide range of novel concepts for next-generation high-efficiency solar cells is based on nanostructures with configuration-tunable optoelectronic properties. On the other hand, effective nano-optical light-trapping concepts enable the use of ultra-thin absorber architectures. In both cases, the local density of electronic and optical states deviates strongly from that in a homogeneous bulk material. At the same time, non-local and coherent phenomena like tunneling or ballistic transport become increasingly relevant. As a consequence, the semi-classical, diffusive bulk picture conventionally assumed may no longer be appropriate to describe the physical processes of generation, transport, and recombination governing the photovoltaic operation of such devices. In this review, we provide a quantum-kinetic perspective on photovoltaic device operation that reaches beyond the limits of the standard simulation models for bulk solar cells. Deviations from bulk physics are assessed in ultra-thin film and nanostructure-based solar cell architectures by comparing the predictions of the semi-classical models for key physical quantities such as absorption coefficients, emission spectra, generation and recombination rates as well as potentials, densities and currents with the corresponding properties as given by a more fundamental description based on non-equilibrium quantum statistical mechanics. This advanced approach, while paving the way to a comprehensive quantum theory of photovoltaics, bridges simulations at microscopic material and macroscopic device levels by providing the charge carrier dynamics at the mesoscale.Comment: 22 pages, 8 figures; review article based on an invited talk at the MRS Spring Meeting 2017 in Phoeni

Theoretical investigation of direct and phonon-assisted tunneling currents in InAlGaAs-InGaAs bulk and quantum well interband tunnel junctions for multi-junction solar cells

Direct and phonon-assisted tunneling currents in InAlGaAs-InGaAs bulk and double quantum well interband tunnel heterojunctions are simulated rigorously using the non-equilibrium Green's function formalism for coherent and dissipative quantum transport in combination with a simple two-band tight-binding model for the electronic structure. A realistic band profile and associated built-in electrostatic field is obtained via self-consistent coupling of the transport formalism to Poisson's equation. The model reproduces experimentally observed features in the current-voltage characteristics of the device, such as the structure appearing in the negative differential resistance regime due to quantization of emitter states. Local maps of density of states and current spectrum reveal the impact of quasi-bound states, electric fields and electron-phonon scattering on the interband tunneling current. In this way, resonances appearing in the current through the double quantum well structure in the negative differential resistance regime can be related to the alignment of subbands in the coupled quantum wells.Comment: 4 pages, 5 figure

Simulation of nanostructure-based high-efficiency solar cells: challenges, existing approaches and future directions

Many advanced concepts for high-efficiency photovoltaic devices exploit the peculiar optoelectronic properties of semiconductor nanostructures such as quantum wells, wires and dots. While the optics of such devices is only modestly affected due to the small size of the structures, the optical transitions and electronic transport can strongly deviate from the simple bulk picture known from conventional solar cell devices. This review article discusses the challenges for an adequate theoretical description of the photovoltaic device operation arising from the introduction of nanostructure absorber and/or conductor components and gives an overview of existing device simulation approaches.Comment: Invited paper, accepted for publication in IEEE Journal of Selected Topics in Quantum Electronic

Impact of nanostructure configuration on the photovoltaic performance of quantum dot arrays

In this work, a mesoscopic model based on the non-equilibrium Green's function formalism for a tight-binding-like effective Hamiltonian is used to investigate a selectively contacted quantum dot array designed for operation as a single junction quantum dot solar cell. By establishing a direct relation between nanostructure configuration and optoelectronic properties, the investigation reveals the influence of inter-dot and dot-contact coupling strengths on the rates of charge carrier photogeneration, radiative recombination, and extraction at contacts, and consequently on the ultimate performance of photovoltaic devices with finite quantum dot arrays as the active medium. For long carrier lifetimes, the dominant configuration effects originate in the dependence of the joint density of states on the inter-dot coupling in terms of band width and effective band gap. In the low carrier lifetime regime, where recombination competes with carrier extraction, the extraction efficiency shows a critical dependence on the dot-contact coupling.Comment: 11 pages, 15 figures; extensively revised and substantially extended versio

A Microscopic Perspective on Photovoltaic Reciprocity in Ultrathin Solar Cells

The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions. Its derivation is based on detailed balance relations between local absorption and emission rates in optically isotropic media with non-degenerate quasi-equilibrium carrier distributions. In many cases, the dependence of density and spatial variation of electronic and optical device states on the point of operation is modest and the reciprocity relation holds. In nanostructure-based photovoltaic devices exploiting confined modes, however, the underlying assumptions are no longer justifiable. In the case of ultrathin absorber solar cells, the modification of the electronic structure with applied bias is significant due to the large variation of the built-in field. Straightforward use of the external quantum efficiency as measured at short circuit conditions in the photovoltaic reciprocity theory thus fails to reproduce the electroluminescence spectrum at large forward bias voltage. This failure is demonstrated here by numerical simulation of both spectral quantities at normal incidence and emission for an ultrathin GaAs p-i-n solar cell using an advanced quantum kinetic formalism based on non-equilibrium Green's functions of coupled photons and charge carriers. While coinciding with the semiclassical relations under the conditions of their validity, the theory provides a consistent microscopic relationship between absorption, emission and charge carrier transport in photovoltaic devices at arbitrary operating conditions and for any shape of optical and electronic density of states.Comment: 5 pages, 4 figures, all figures replaced, minor changes and additions to the tex

Photocarrier extraction in GaAsSb/GaAsN type-II QW superlattice solar cells

Photocarrier transport and extraction in GaAsSb/GaAsN type-II quantum well superlattices are investigated by means of inelastic quantum transport calculations based on the non-equilibrium Green's function formalism. Evaluation of the local density of states and of the spectral current flow enables the identification of different regimes for carrier localization, transport, and extraction as a function of configurational parameters. These include the number of periods, the thicknesses of the individual layers in one period, the built-in electric field, and the temperature of operation. The results for the carrier extraction efficiency are related to experimental data for different symmetric GaAsSb/GaAsN type-II quantum well superlattice solar cell devices and provide a qualitative explanation for the experimentally observed dependence of photovoltaic device performance on period thickness.Comment: 5 pages, 7 figures; accepted for publication in Applied Physics Letter

Impact of built-in fields and contact configuration on the characteristics of ultra-thin GaAs solar cells

We discuss the effects of built-in fields and contact configuration on the photovoltaic characteristics of ultrathin GaAs solar cells. The investigation is based on advanced quantum-kinetic simulations reaching beyond the standard semi-classical bulk picture concerning the consideration of charge carrier states and dynamics in complex potential profiles. The thickness dependence of dark and photocurrent in the ultra-scaled regime is related to the corresponding variation of both, the built-in electric fields and associated modification of the density of states, and the optical intensity in the films. Losses in open-circuit voltage and short-circuit current due to leakage of electronically and optically injected carriers at minority carrier contacts are investigated for different contact configurations including electron and hole blocking barrier layers. The microscopic picture of leakage currents is connected to the effect of finite surface recombination velocities in the semi-classical description, and the impact of these non-classical contact regions on carrier generation and extraction is analyzed.Comment: 5 pages, 8 figure

Effect of spin-orbit coupling on zero-conductance resonances in asymmetrically coupled one-dimensional rings

The influence of Rashba spin-orbit coupling on zero conductance resonances appearing in one dimensional ring asymmetrically coupled to two leads is investigated. For this purpose, the transmission function of the corresponding one-electron scattering problem is derived analytically and analyzed in the complex energy plane with focus on the zero-pole structure characteristic of transmission (anti)resonances. The lifting of real conductance zeros due to spin-orbit coupling in the asymmetric Aharonov-Casher (AC) ring is related to the breaking of spin reversal symmetry in analogy to the time-reversal symmetry breaking in the asymmetric Aharonov-Bohm (AB) ring.Comment: 10 pages, 11 figure