Electronic Transport In Nanoscale Structures

In recent years there has been a huge increase in the research and development of nanoscale science and technology. Central to the understanding of the properties of nanoscale structures is the modeling of electronic conduction through these systems. This graduate textbook provides an in-depth description of the transport phenomena relevant to systems of nanoscale dimensions. In this textbook the different theoretical approaches are critically discussed, with emphasis on their basic assumptions and approximations. The book also covers information content in the measurement of currents, the role of initial conditions in establishing a steady state, and the modern use of density-functional theory. Topics are introduced by simple physical arguments, with particular attention to the non-equilibrium statistical nature of electrical conduction, and followed by a detailed formal derivation. This textbook is ideal for graduate students in physics, chemistry, and electrical engineering.

In this dissertation electronic transport in nanoscale structures is discussed. An expression for the shot noise, a fluctuation in current due to the discreteness of charge, is derived directly from the wave functions of a nanoscale system. Investigation of shot noise is of particular interest due to the rich fundamental physics involved. For example, the study of shot noise can provide fundamental insight on the nature of electron transport in a nanoscale junction. We report calculations of the shot noise properties of parallel wires in the regime in which the interwire distance is much smaller than the inelastic mean free path. The validity of quantized transverse momenta in a nanoscale structure and its effect on shot noise is also discussed. We theoretically propose and show the feasibility of a novel protocol for DNA sequencing based on the electronic signature of single-stranded DNA while it translocates through a nanopore. We find that the currents for the bases are sufficiently different to allow for efficient sequencing. Our estimates reveal that sequencing of an entire human genome could be done with very high accuracy in a matter of hours, e.g., orders of magnitude faster than present techniques. We also find that although the overall magnitude of the current may change dramatically with different detection conditions, the intrinsic distinguishability of the bases is not significantly affected by pore size and transverse field strength. Finally, we study the ability of water to screen charges in nanopores by using all-atom molecular dynamics simulations coupled to electrostatic calculations. Due to the short length scales of the nanopore geometry and the large local field gradient of a single ion, the energetics of transporting an ion through the pore is strongly dependent on the microscopic details of the electric field. We show that as long as the pore allows the first hydration shell to stay intact, e.g., ~6 nearby water molecules, the electric field of the ion can be well screened. We also discuss the consequences of the formation of hydration layers and of the discrete nature of polarization at atomic length scales for the applicability of continuum dielectric models.

In recent years there has been a huge increase in the research and development of nanoscale science and technology. Central to the understanding of the properties of nanoscale structures is the modeling of electronic conduction through these systems. This graduate textbook provides an in-depth description of the transport phenomena relevant to systems of nanoscale dimensions. In this textbook the different theoretical approaches are critically discussed, with emphasis on their basic assumptions and approximations. The book also covers information content in the measurement of currents, the role of initial conditions in establishing a steady state, and the modern use of density-functional theory. Topics are introduced by simple physical arguments, with particular attention to the non-equilibrium statistical nature of electrical conduction, and followed by a detailed formal derivation. This textbook is ideal for graduate students in physics, chemistry, and electrical engineering.

A comprehensive advanced level examination of the transport theory of nanoscale devices Provides advanced level material of electron transport in nanoscale devices from basic principles of quantum mechanics through to advanced theory and various numerical techniques for electron transport Combines several up-to-date theoretical and numerical approaches in a unified manner, such as Wigner-Boltzmann equation, the recent progress of carrier transport research for nanoscale MOS transistors, and quantum correction approximations The authors approach the subject in a logical and systematic way, reflecting their extensive teaching and research backgrounds

Advances in semiconductor technology have made possible the fabrication of structures whose dimensions are much smaller than the mean free path of an electron. This book gives a thorough account of the theory of electronic transport in such mesoscopic systems. After an initial chapter covering fundamental concepts, the transmission function formalism is presented, and used to describe three key topics in mesoscopic physics: the quantum Hall effect; localisation; and double-barrier tunnelling. Other sections include a discussion of optical analogies to mesoscopic phenomena, and the book concludes with a description of the non-equilibrium Green's function formalism and its relation to the transmission formalism. Complete with problems and solutions, the book will be of great interest to graduate students of mesoscopic physics and nanoelectronic device engineering, as well as to established researchers in these fields.

The problem of electronic transport in systems comprising only a handful of atoms is one of the most exciting branches of nanoscience. The aim of this book is to address the issue of non-equilibrium transport at the nanoscale. At first, we lay down the theoretical framework based on Keldysh s non-equilibrium Green function formalism. We show how this formalism relates to the Landauer-Buttiker formalism for the linear regime and how the current through a nanoscopic system can be related to a rate equation for which a steady state solution can be found. This formalism can be applied with different choices of Hamiltonian. In this work we choose to work with the Hamiltonian obtained from density functional theory which provides an accurate description of the electronic structure of nanoscopic systems. The combination of NEGFs and DFT results in Smeagol, a state-of-the-art tool for calculating materials-specific electronic transport properties of molecular devices as well as interfaces and junctions. We then show some examples of how Smeagol could be used to study a variety of systems from magnetic point contacts to DNA.

Continuing miniaturization of electronic devices, together with the quickly growing number of nanotechnological applications, demands a profound understanding of the underlying physics. Most of the fundamental problems of modern condensed matter physics involve various aspects of quantum transport and fluctuation phenomena at the nanoscale. In nanostructures, electrons are usually confined to a limited volume and interact with each other and lattice ions, simultaneously suffering multiple scattering events on impurities, barriers, surface imperfections, and other defects. Electron interaction with other degrees of freedom generally yields two major consequences, quantum dissipation and quantum decoherence. In other words, electrons can lose their energy and ability for quantum interference even at very low temperatures. These two different, but related, processes are at the heart of all quantum phenomena discussed in this book. This book presents copious details to facilitate the understanding of the basic physics behind a result and the learning to technically reproduce the result without delving into extra literature. The book subtly balances the description of theoretical methods and techniques and the display of the rich landscape of the physical phenomena that can be accessed by these methods. It is useful for a broad readership ranging from master's and PhD students to postdocs and senior researchers. > This book presents copious details to facilitate the understanding of the basic physics behind a result and the learning to technically reproduce the result without delving into extra literature. The book subtly balances the description of theoretical methods and techniques and the display of the rich landscape of the physical phenomena that can be accessed by these methods. It is useful for a broad readership ranging from master's and PhD students to postdocs and senior researchers.