Microscopic modeling of energy dissipation and decoherence in nanoscale materials and devices

Primary goal of this thesis work is to develop and implement microscopic modeling strategies able to describe semiconductor-based nanomaterials and nanodevices, overcoming both the intrinsic limits of the semiclassical transport theory and the huge computational costs of non Markovian approaches. The progressive reduction of modern optoelectronic devices space-scales, triggered by the evolution on semiconductor heterostructures at the nanoscale, together with the decrease of the typical time-scales involved, pushes device miniaturization toward limits where the application of the traditional Boltzmann transport theory becomes questionable, and a comparison with more rigorous quantum transport approaches is imperative. In spite of the quantum-mechanical nature of electron and photon dynamics in the core region of typical solid-state nanodevices, the overall behavior of such quantum systems is often governed by a highly non-trivial interplay between phase coherence and dissipation/dephasing. To this aim, the crucial step is to adopt a quantum mechanical description of the carrier subsystem; this can be performed at different levels, ranging from phenomenological dissipation/decoherence models to quantum-kinetic treatments. However, due to their high computational cost, non-Markovian Green’ s-function as well as density-matrix approaches like quantum Monte Carlo techniques or quantum-kinetics are currently unsuitable for the design and optimization of new-generation nanodevices. On the other end, the Wigner-function technique is a widely used approach which, in principle, is well suited to describe an interplay between coherence and dissipation: in fact it can be regarded both as a phase space formulation of the electronic density matrix and a quantum equivalent of the classical distribution function. The evolution of this quasi-distribution function is governed by the Wigner-equation, which is usually solved by applying local spatial boundary conditions. However, such a scheme has recently shown some intrinsic limits. In this thesis work we analyze both the reasons for these unphysical features –pointing out the needing of different and purely quantum approaches– and the limits in which they should not appear, thus justifying why these problems had not been encountered in numerous quantum-transport simulations based on this procedure. For these reasons here we present a novel single-particle simulation strategy able to describe the interplay between coherence and dissipation/dephasing. In the presence of one- as well as two-body scattering mechanisms, we apply the mean-field approximation to the many-body Lindblad-type (hence, positive-definite) scattering superoperators provided by a recently proposed Markov approach, and we derive a closed equation of motion for the electronic single-particle density matrix. Although the resulting scattering superoperator turns out to be, at finite or high carrier densities, nonlinear and non-Lindblad, we prove that it is able to guarantee the positivity of the evolution (in striking contrast with conventional Markov approaches) independently of the scattering mechanisms, an essential prerequisite of any reliable kinetic treatment of semiconductor quantum devices; furthermore, it may be extended to the cases of quantum systems with open spatial boundaries (in this regard, it provides a formal derivation of a recently proposed Lindblad-like device-reservoir scattering superoperator). The proposed theoretical scheme is able, one the one hand, to recover the space-dependent Boltzmann equation and, on the other, to point out the regimes where a relevant role may be played by scattering-nonlocality effects, e.g. scattering-induced variations of the spatial charge-density which may not be provided by semiclassical treatments. Supplementing our analytical investigation with a number of simulated experiments in homogeneous as well as inhomogeneous GaN-based systems, we provide a rigorous treatment of scattering nonlocality in semiconductor nanostructures: in particular, we show how the scattering-nonlocality effects (i) are particularly significant in the presence of a carrier localization on the nanometric space scale, (ii) cause a speedup of the diffusion and (iii) in superlattice structures induce, with respect to scattering-free evolutions, a suppression of coherent oscillations between adjacent wells. These genuine quantum effects may be predicted also by other simplified treatments of the dissipation/decoherence like, e.g., the Relaxation Time Approximation: the latter however turns out to be, contrary to the proposed microscopic theoretical scheme, totally nonlocal, e.g. it is unable to recover the local character of the Boltzmann collision term in the semiclassical limit and it leads, especially for the case of quasielastic dissipation processes, to a significant overestimation of the diffusion speedup

Predicting the statistics of wave transport through chaotic cavities by the Random Coupling Model: a review and recent progress

In this review, a model (the Random Coupling Model) that gives a statistical description of the coupling of radiation into and out of large enclosures through localized and/or distributed channels is presented. The Random Coupling Model combines both deterministic and statistical phenomena. The model makes use of wave chaos theory to extend the classical modal description of the cavity fields in the presence of boundaries that lead to chaotic ray trajectories. The model is based on a clear separation between the universal statistical behavior of the isolated chaotic system, and the deterministic coupling channel characteristics. Moreover, the ability of the random coupling model to describe interconnected cavities, aperture coupling, and the effects of short ray trajectories is discussed. A relation between the random coupling model and other formulations adopted in acoustics, optics, and statistical electromagnetics, is examined. In particular, a rigorous analogy of the random coupling model with the Statistical Energy Analysis used in acoustics is presented.Comment: 32 pages, 9 figures, submitted to 'Wave Motion', special issue 'Innovations in Wave Model

Theory and simulation of quantum photovoltaic devices based on the non-equilibrium Green's function formalism

This article reviews the application of the non-equilibrium Green's function formalism to the simulation of novel photovoltaic devices utilizing quantum confinement effects in low dimensional absorber structures. It covers well-known aspects of the fundamental NEGF theory for a system of interacting electrons, photons and phonons with relevance for the simulation of optoelectronic devices and introduces at the same time new approaches to the theoretical description of the elementary processes of photovoltaic device operation, such as photogeneration via coherent excitonic absorption, phonon-mediated indirect optical transitions or non-radiative recombination via defect states. While the description of the theoretical framework is kept as general as possible, two specific prototypical quantum photovoltaic devices, a single quantum well photodiode and a silicon-oxide based superlattice absorber, are used to illustrated the kind of unique insight that numerical simulations based on the theory are able to provide.Comment: 20 pages, 10 figures; invited review pape

Colloquium: Nonlinear collective interactions in quantum plasmas with degenerate electron fluids

The current understanding of some important nonlinear collective processes in quantum plasmas with degenerate electrons is presented. After reviewing the basic properties of quantum plasmas, we present model equations (e.g. the quantum hydrodynamic and effective nonlinear Schr\"odinger-Poisson equations) that describe collective nonlinear phenomena at nanoscales. The effects of the electron degeneracy arise due to Heisenberg's uncertainty principle and Pauli's exclusion principle for overlapping electron wavefunctions that result in tunneling of electrons and the electron degeneracy pressure. Since electrons are Fermions (spin-1/2), there also appears an electron spin current and a spin force acting on electrons due to the Bohr magnetization. The quantum effects produce new aspects of electrostatic (ES) and electromagnetic (EM) waves in a quantum plasma that are summarized in here. Furthermore, we discuss nonlinear features of ES ion waves and electron plasma oscillations (ESOs), as well as the trapping of intense EM waves in quantum electron density cavities. Specifically, simulation studies of the coupled nonlinear Schr\"odinger (NLS) and Poisson equations reveal the formation and dynamics of localized ES structures at nanoscales in a quantum plasma. We also discuss the effect of an external magnetic field on the plasma wave spectra and develop quantum magnetohydrodynamic (Q-MHD) equations. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects, in plasma-assisted nanotechnology, and in the next-generation of intense laser-solid density plasma interaction experiments.Comment: 25 pages, 14 figures. To be published in Reviews of Modern Physic

Multi-dimensional modeling and simulation of semiconductor nanophotonic devices

Self-consistent modeling and multi-dimensional simulation of semiconductor nanophotonic devices is an important tool in the development of future integrated light sources and quantum devices. Simulations can guide important technological decisions by revealing performance bottlenecks in new device concepts, contribute to their understanding and help to theoretically explore their optimization potential. The efficient implementation of multi-dimensional numerical simulations for computer-aided design tasks requires sophisticated numerical methods and modeling techniques. We review recent advances in device-scale modeling of quantum dot based single-photon sources and laser diodes by self-consistently coupling the optical Maxwell equations with semiclassical carrier transport models using semi-classical and fully quantum mechanical descriptions of the optically active region, respectively. For the simulation of realistic devices with complex, multi-dimensional geometries, we have developed a novel hp-adaptive finite element approach for the optical Maxwell equations, using mixed meshes adapted to the multi-scale properties of the photonic structures. For electrically driven devices, we introduced novel discretization and parameter-embedding techniques to solve the drift-diffusion system for strongly degenerate semiconductors at cryogenic temperature. Our methodical advances are demonstrated on various applications, including vertical-cavity surface-emitting lasers, grating couplers and single-photon sources

Time-dependent simulation of thermal lensing in high-power broad-area semiconductor lasers

We propose a physically realistic and yet numerically applicable thermal model to account for short and long term self-heating within broad-area lasers. Although the temperature increase is small under pulsed operation, a waveguide that is formed within a few-ns-long pulse can result in a transition from a gain-guided to an index-guided structure, leading to near and far field narrowing. Under continuous wave operation the longitudinally varying temperature profile is obtained self-consistently. The resulting unfavorable narrowing of the near field can be successfully counteracted by etching trenches

Quantum fluids of light

This article reviews recent theoretical and experimental advances in the fundamental understanding and active control of quantum fluids of light in nonlinear optical systems. In presence of effective photon-photon interactions induced by the optical nonlinearity of the medium, a many-photon system can behave collectively as a quantum fluid with a number of novel features stemming from its intrinsically non-equilibrium nature. We present a rich variety of photon hydrodynamical effects that have been recently observed, from the superfluid flow around a defect at low speeds, to the appearance of a Mach-Cherenkov cone in a supersonic flow, to the hydrodynamic formation of topological excitations such as quantized vortices and dark solitons at the surface of large impenetrable obstacles. While our review is mostly focused on a class of semiconductor systems that have been extensively studied in recent years (namely planar semiconductor microcavities in the strong light-matter coupling regime having cavity polaritons as elementary excitations), the very concept of quantum fluids of light applies to a broad spectrum of systems, ranging from bulk nonlinear crystals, to atomic clouds embedded in optical fibers and cavities, to photonic crystal cavities, to superconducting quantum circuits based on Josephson junctions. The conclusive part of our article is devoted to a review of the exciting perspectives to achieve strongly correlated photon gases. In particular, we present different mechanisms to obtain efficient photon blockade, we discuss the novel quantum phases that are expected to appear in arrays of strongly nonlinear cavities, and we point out the rich phenomenology offered by the implementation of artificial gauge fields for photons.Comment: Accepted for publication on Rev. Mod. Phys. (in press, 2012