Particles (electrons, atoms, molecules) in interaction with large ensembles of atoms, e.g. solids and surfaces, often display properties, which are unexpected, based on experimental and theoretical investigations of small ensembles. A frequently cited phrase has been coined by P.W. Anderson to focus on this problem: "More is different" . Theoretical descriptions of the unexpected properties commonly use ad hoc assumptions, justified by referring to the vogue word "emergence" . In this contribution some striking examples of behaviour changes are outlined with the transition from "few" to "more" . It is suggested that entanglement between the observable local system and unobservable continua of the environment (phonons, electron-hole pairs, gravitons) can contribute much to the understanding of the relationship between the behaviour of "few" and "more" . Solving the time dependent Schrödinger equation for coherent model worlds, comprising both the local system and the entangled continua of the environment, adsorbate motion at surfaces at low temperature is examined. In the time-dependent formalism the entanglement of the core movement of a gas atom to the high dimensional continuum of substrate environs leads to a qualitative behaviour as it is observed experimentally. The focus in the present article is the emergence of classical appearance of a local quantum system entangled with the excitations of the environment. The dynamical evolution of the quantum system is coherent and according to the time dependent Schrödinger equation. The environmental excitations can be phonons, tomonagons, gravitons, either observable or not observable in experiment.
Particles (electrons, atoms, molecules) in interaction with large ensembles of atoms, e.g. solids and surfaces, often display properties, which are unexpected, based on experimental and theoretical investigations of small ensembles. A frequently cited phrase has been coined by P.W. Anderson to focus on this problem: "More is different" . Theoretical descriptions of the unexpected properties commonly use ad hoc assumptions, justified by referring to the vogue word "emergence" . In this contribution some striking examples of behaviour changes are outlined with the transition from "few" to "more" . It is suggested that entanglement between the observable local system and unobservable continua of the environment (phonons, electron-hole pairs, gravitons) can contribute much to the understanding of the relationship between the behaviour of "few" and "more" . Solving the time dependent Schrödinger equation for coherent model worlds, comprising both the local system and the entangled continua of the environment, adsorbate motion at surfaces at low temperature is examined. In the time-dependent formalism the entanglement of the core movement of a gas atom to the high dimensional continuum of substrate environs leads to a qualitative behaviour as it is observed experimentally. The focus in the present article is the emergence of classical appearance of a local quantum system entangled with the excitations of the environment. The dynamical evolution of the quantum system is coherent and according to the time dependent Schrödinger equation. The environmental excitations can be phonons, tomonagons, gravitons, either observable or not observable in experiment.
Recently, the possibility of investigating single molecule, or single spin observables, as well as the necessity of a better understanding of the mechanisms underlying quantum dynamics in order to obtain nanoscale devices and nanostructered materials suitable for quantum computing tasks, have revived the interest in foundational aspects of quantum statistical mechanics. This thesis aims to give a contribution to this field by re-considering the statistical characterization of a quantum system at the light of some paradigmatic changes in our understanding of quantum theory which have taken place in the last two decades. In particular the impressive development of quantum information theory has changed the perceptions of quantum entanglement: for a long time it has been considered a somewhat paradoxical property of the matter at the atomic scale, but now it is regarded as an essential and ubiquitous phenomenon whose consequences are affecting the very macroscopic world that we experience. Still the decoherence program has brought out the importance of considering a quantum system together with its environment in order to clarify some key aspects of quantum dynamics. Thus, we start from the idea that quantum correlations are ubiquitous and somewhat uncontrollable in systems with many degrees of freedom which are typically considered in statistical mechanics. As a consequence we assume the standpoint that quantum statistical mechanics has not to be based on the underlying idea of a collection of many, independent quantum systems but rather it has to emerge at the level of a global wavefunction (pure state) which describes the system as well as its environment as a whole. In order to investigate the consequences of these assumptions we study the equilibrium distribution of an isolated quantum system. This is defined, in analogy with the ergodic foundations of classical statistical mechanics, on the basis of the time evolution of the quantum state. Then, we study the emergence of thermodynamic properties in a quantum system by studying the probability distribution of some function of interests, as the entropy and the equilibrium state of a subsystem, on Ensembles of Pure States. Such a probability distribution is derived from the geometry of the Hilbert space, and the theoretical tools suitable for its characterization are developed. On the one hand we perform a numerical sampling of the ensemble distributions by employing Monte Carlo techniques, on the other hand simpler analytical approximation of the geometrical distributions are derived by means of a maximum entropy principle. Model systems composed of an ensemble of spins are chosen to illustrate the salient features which emerge from the developed theoretical framework: the main point is that the Ensemble Distributions of “thermodynamic observables” (entropy or equilibrium state of a subsystem) are sharply peaked around a typical value. From the analysis it emerges that each of the overwhelming majority of the wavefunctions which has appreciable weight in the considered ensemble, is characterized by the same value of the “macroscopic” functions. This is a striking evidence of the “typicality” of these properties. In the essence, our impossibility to know the state of the system in detail does not matter, just for the remarkable fact that almost all quantum states behave essentially in the same way. By virtue of this typicality the study of the behaviour of the typical values of the thermodynamic function become meaningful. Notably, under certain conditions, one recovers the results of standard statistical mechanics, that is, the equilibrium average of the state of a subsystem can be cast in the Boltzmann canonical form at the temperature given by the usual thermodynamical relation . In the second part of the thesis we consider the dynamical aspects of the equilibrium state of a subsystem interacting with its environment. The fluctuations around the equilibrium average critically depends on the entanglement between the system and the environment and on the form of the interaction Hamiltonian. The connection between the dynamics of the fluctuations of an observable at the equilibrium and the relaxation toward the equilibrium from a “non typical” initial value is also investigated with the aid of simple model systems. The study presented in this thesis was partly motivated by a critical analysis of the statistical methods available for the theoretical modelling of magnetic resonance experiments. One of these, the Stochastic Liouville Equation, has been employed in a work completed during the first year of my Ph.D. program in order to interpret some feature of a two dimensional electron spin resonance experiment, [Fresch B., Frezzato D., Moro G. J., Kothe G., Freed J. H.; J. Phys. Chem. B., 110, 24238, (2006)].
Theory and experiment have not fully resolved the apparent dichotomy , which has agonized physics for the past eighty years: on the one hand, the description of microsystems by quantum mechanics and, on the other, the description of macrosystems by classical dynamics or statistical mechanics. Derivations of the time-irreversible Liouville equation for an open quantum system, based on projecting out its environment, have narrowed the gap between the quantum and classical descriptions. Yet our `classical' intuition continues to be confronted by quantum-mechanical results like the Einstein--Podolsky--Rosen paradox that challenges the classical notion of locality, or the quantum Zeno effect which suggests that the isolation of a system is not the only way to preserve its quantum state. There are two key concepts in any discussion of such issues. The first, which is responsible for the most salient nonclassical properties, is entanglement , that is partial or complete correlation or, more generally, inseparability of the elements comprising a quantum ensemble . Even after their interaction has ceased, this inseparability, originating from their past interaction, can affect the state of one element when another element is subject to a nonunitary action, such as its measurement, tracing- out, or thermalization. The second key concept is decoherence of open quantum systems, which is the consequence of their entanglement with their environment, a `meter' or a thermal `reservoir', followed by the tracing-out of the latter. Despite new insights into entanglement and decoherence, there are still no complete, unequivocal answers to the fundamental questions of the transition from quantal to classical behaviour: how do irreversibility and classicality emerge from unitarity as systems and their environments become increasingly complex ? At what stage does system--meter entanglement give rise to a classical readout of the meter? Is there an upper limit on the size or complexity of systems displaying entanglement? Major developments have opened new vistas into controlled entanglement , which is the resource of quantum information processing. However, these developments have mainly focused on ensembles of simple two- and three-level systems that are thoroughly isolated from their environments. Treatments of coherence in quantum computing have mostly assumed that only a single or a few the elements of the quantum ensemble may simultaneously undergo an uncontrolled intervention---a quantum error. Decoherence-control protocols for more general types of errors are still incomplete. In order to resolve the outstanding issues of the quantum--classical transition, and study the control of entanglement and decoherence without the foregoing restrictions, we must venture into the domain of Quantum Complex Systems (QUACS), either consisting of a large number of inseparable elements or having many coupled degrees of freedom. Our conviction is that fundamental understanding and manipulation of entanglement within QUACS or their entanglement with the environment or a meter, call for the creation of a new conceptual framework or paradigm, that would encompass phenomena common to cold atoms in laser fields, large molecules, Josephson junctions, quantum gases and solids, with the view of employing these systems for quantum information processing and computing. Progress within this paradigm should allow us to answer the questions: does entanglement play an essential role in the evolution of large collections of complex systems? What are the size and complexity limits of systems and ensembles still controllable by an external intervention? What are the most appropriate decoherence protection schemes and control algorithms? This special issue addresses the challenge of understanding in depth and manipulating the basic quantum properties of optical, atomic, molecular and condensed-matter QUACS, and large ensembles thereof. In view of the interdisciplinary character of this issue, we find it expedient to look at the presented articles not only according to the physical objects they describe, but also from a unifying standpoint. Several unifying themes may be discerned: memory effects in dephasing and relaxation; protection of quantum information by its distribution throughout the ensemble; control of decoherence and entanglement by time-dependent interventions or measurements; manifestations of entanglement in scattering off statistical ensembles; measurment-induced dynamics. The concerted discussion of the topics outlined above should help us advance the new paradigm that addresses our abilities to diagnose and manipulate the entangled states of complex quantum objects and their robustness against decoherence. These abilities are required for quantum information (QI) applications in matter--wave interferometry in molecular, semiconducting or superconducting systems. On the fundamental level, this book may help establish the notion of dynamical information exchange between quantum systems and chart in detail the route from unitarity to classicality. Further developments within the outlined paradigm should yield novel, advantageous QI processing schemes and high-sensitivity interferometers, owing to decoherence suppression and effective control of many degrees of freedom. In the long run, these strategies may prove to be the first step towards the (hitherto unattempted) use of entanglement in nanotechnology, metrology and chemistry, with potentially remarkable novel applications.
A long standing unsolved puzzle is the very small rate of surface diffusion of ad-sorbates in the low temperature STM in the regime of quantum diffusion, differing by orders of magnitude from the results of modern quantum theories of surface diffusion (QTSD) based on ab initio potential energy surfaces (refs. [1]-[5]). We investigate whether decoherence mechanisms, neglected in QTSD, can shed some light on these discrepancies. A quantum-mechanical theory is presented treating the entanglement of adsorbates with their environment (phonons, electron-hole pairs, gravitons) [6]. Time dependent wave packet evolution including the environmental modes indicates possible paths towards an explanation of the observed discrepancies and gives an insight into phenomenological descriptions like adsorbate localization, quantum Zeno effect (permenant "measurement" by specific environmental excitations) and wave function collapse.
Statistical classical mechanics and quantum mechanics are developed and well-known theories that represent a basis for modern physics. Statistical classical mechanics enable the derivation of the properties of large bodies by investigating the movements of small atoms and molecules which comprise these bodies using Newton's classical laws. Quantum mechanics defines the laws of movement of small particles at small atomic distances by considering them as probability waves. The laws of quantum mechanics are described by the Schrödinger equation. The laws of such movements are significantly different from the laws of movement of large bodies, such as planets or stones. The two described theories are well known and have been well studied. As these theories contain numerous paradoxes, many scientists doubt their internal consistencies. However, these paradoxes can be resolved within the framework of the existing physics without the introduction of new laws. To clarify the paper for the inexperienced reader, we include certain necessary basic concepts of statistical physics and quantum mechanics in this paper without the use of formulas. Exact formulas and explanations are included in the Appendices. The text is supplemented by illustrations to enhance the understanding of the paper. The paradoxes underlying thermodynamics and quantum mechanics are also discussed. The approaches to the solutions of these paradoxes are suggested. The first approach is dependent on the influence of the external observer (environment), which disrupts the correlations in the system. The second approach is based on the limits of the self-knowledge of the system for the case in which both the external observer and the environment are included in the considered system. The concepts of observable dynamics, ideal dynamics, and unpredictable dynamics are introduced. The phenomenon of complex (living) systems is contemplated from the point of view of these dynamics.
Chapter 3 provides a brief review of a few concepts from classical Newtonian physics, and how this fails to explain phenomena at the nanoscopic scale. As is detailed within, the classical mechanical model is able to describe all observed physical phenomena; however, when it comes to the nanoscale this model breaks down, because the properties of the materials change dramatically. At this scale, the surface-to-volume ratio increases, gravitational forces become negligible and random molecular motion becomes more important. This changes the properties of the material and affects the devices that are fabricated at this scale. It is hence necessary to develop a new model that can explain such physical phenomena. This has led to a new branch of physics, i.e. quantum physics (QP) or quantum mechanics, which is able to explain the behavior observed at nanoscale. QP enables us to explain phenomena such as the photoelectric effect, Compton effect. etc. In this chapter, we introduce quantum mechanics and how it evolved in the late 19th and early 20th centuries. Further, light’s behaviour as a particle as well as a wave is described by the photoelectric effect and Young’s double-slit experiment, respectively. Further, the dual nature of the particle is explained using the de Broglie principle. Schrodinger’s equation is then explained, which gives the probability of finding a subatomic-scale particle at a certain position in a quantum well. In addition to the formulation of Schrodinger’s equation, its solution, the concept of a potential well, the characteristics of the wave function and its interpretation and significance, and, finally, the application of Schrodinger’s equation in the structure of an atom form subsequent parts of this chapter. The equation serves as a basis with which to understand band theory. Band theory explains the difference between conductors, insulators and semiconductors. Materials are distinguished according to the differences in their band gaps. Adding impurities or varying temperature changes the band gap in semiconductors, which consequently changes the properties of the semiconductor and its electrical conduction. One more important measure to understand and exploit the properties and behaviour of materials is Fermi–Dirac statistics. It is useful to acquire the probability of electrons at a given energy level at a specific temperature. These concepts can be utilised by physicists and chip makers to make more energy-efficient devices. Hence, this chapter details the fundamentals of quantum physics and how they relate to the electrical properties of nanodevices.
The theory of statistical mechanics provides a powerful conceptual framework within which the relevant (macroscopic) features of systems at equilibrium can be described. As there is currently no equivalent capable of encompassing the much richer class of non-equilibrium phenomena, research in this direction proceeds mainly on an instance-by-instance basis. The aim of this Thesis is to describe in some detail three such attempts, which involve different dynamical aspects of classical and quantum systems. As summarised below, each of the last three Chapters of this document delves into one of these different topics, while Chapter 2 provides a brief introduction on the study of non-equilibrium dynamics. In Chapter 3 we investigate the purely relaxational dynamics of classical critical ferromagnetic systems in the proximity of surfaces, paying particular attention to the effects that the latter induce on the early stages of the evolution following an abrupt change in the temperature of the sample. When the latter ends close enough to the critical value which separates the paramagnetic from the ferromagnetic phase, it effectively introduces a temporal boundary which can be treated as if it were a surface. Within this picture, we highlight the emergence of novel effects near the effective edge formed by the intersection of the two spatial and temporal boundaries. Our findings are apparently in disagreement with previous predictions which were based on the assumption that the presence of such an edge would not affect the scaling behaviour of observables; in order to explain this discrepancy, we propose an alternative for the original power-counting argument which, at least, correctly predicts the emergence of novel field-theoretical divergences in our one-loop calculations. We show that said singularities are associated with the scaling at the edge. Moreover, by encoding our findings in a boundary renormalisation group framework, we argue that the new predicted behaviour represents a universal feature associated to the short-distance expansion of the order parameter of the transition near the edge; we also calculate explicitly its anomalous dimension at the first-order in a dimensional expansion. As a qualitative feature, this anomalous dimension depends on the type of phase transition occurring at the surface. We exploit this fact in order to provide numerical support to our predictions via Monte Carlo simulations of the dynamical behaviour of a three-dimensional Ising model. The main results reported in Chap. 3 have appeared in Ref. [1]. In Chapter 4 we revisit the Euclidean mapping to imaginary times which has been recently proposed [2, 3] as an alternative for approaching the problem of quantum dynamics following a quench. This is expected to allow one to reformulate the original problem as a static one confined in a film geometry. We show that this interpretation actually holds only if the initial state of the dynamics is pure. Statistical mixtures, instead, intertwine the effects due to the two boundaries, which therefore cannot be regarded as being independent. We emphasize that, although the aforementioned reinterpretation as a confined static problem fails, one is still able, in principle, to write down and solve the corresponding equations. We also discuss in some detail the relation between this approach and the real-time field-theoretical one which makes use of the two-time Keldysh contour. For this purpose, we study the analytical structure of relevant observables — such as correlation functions — in the complex plane of times, identifying a subdivision of this domain into several sectors which depend on the ordering of the imaginary parts of the involved time coordinates. Within each of these subdomains, the analytic continuation to the real axis provides in principle a different result. This feature allows one to reconstruct from the Euclidean formalism all possible non-time-ordered functions, which in particular include all those which can be calculated via the Keldysh two-time formalism. Moreover, we give a prescription on how to retrieve response functions, discussing some simple examples and rationalising some recent numerical data obtained for one of these observables in a one-dimensional quantum Ising chain [4]. We also highlight the emergence of a light-cone effect fairly similar to the one previously found for correlation functions [2], which therefore provides further confirmation to the fact that information travels across the system in the form of the entanglement of quasi-particles produced by the quenching procedure. We have reported part of this analysis in Ref. [5]. Chapter 5 presents part of our recent work on effective relaxation in quantum systems following a quench and on the observed prethermalisation. We analyse the effects caused by the introduction of a long-range integrability-breaking interaction in the early stages of the dynamics of an otherwise integrable quantum spin chain following a quench in the magnetic field. By employing a suitable transformation, we redefine the theory in terms of a fully-connected model of hard-core bosons, which allows us to exploit the (generically) low density of excitations for rendering our model exactly solvable (in a numerical sense, i.e., by numerically diagonalising an exact matrix). We verify that, indeed, as long as the parameters of the quench are not too close to the critical point, the low-density approximation captures the dynamical features of the elementary operators, highlighting the appearance of marked plateaux in their dynamics, which we reinterpret as the emergence of a prethermal regime in the original model. As expected, the latter behaviour is reflected also on extensive observables which can be constructed as appropriate combinations of the mode populations. For these quantities, the typical approach to the quasi-stationary value is algebraic with exponent a ≈ 3, independently of the size of the system, the strength of the interaction and the amplitude of the magnetic field (as long as it is kept far from the critical point). The plateaux mentioned above last until a recurrence time — which can be approximately identified with tR ≈ N/2 for single modes and t′R ≈ N/4 for extensive quantities — after which quantum oscillations due to the finite size of the chain reappear. Our procedure allows us to shed some light over prethermal features without having to considerably limit the size of the system, which we can choose to be quite large, as we discuss in Ref. [6].