In this new work, the focus is on the dynamical response of metal electrons to several types of incident electromagnetic fields. The author, an eminent theorist, discusses Time-Dependent Local Density Approximation's importance in both elucidating electronic surface excitations and describing the ground state properties of electronic systems. Chapters detail theoretical formulations and computational procedures, covering such areas as single-particle and collective modes, spatial distribution of the induced surface charges, and local electric fields. Excitation spectra are shown for a variety of clean simple metals, noble metals, chemisorbed overlayers, charged surfaces, and small metal particles.

Understanding energy dissipation mechanisms is a field of present-day scientific interest. Experimental results for electronic excitations in metals propose a measurable electronic excitation during many processes involving a metal surface, including epitaxy. While the role of the nuclear excitation processes is comparatively well understood, the role of electronic excitation processes in the energy dissipation during adsorption and other dynamical processes at surfaces is elusive. One of the reasons is that the interaction dynamics is often treated on a Born- Oppenheimer potential energy surface, which is, strictly speaking, not justified for metals, but lifting this restriction is computationally demanding. The focus of this book is the investigation of a perturbative approach to calculate electronic excitations. After a basic introduction into some major aspects of Density Functional Theory calculations, a time-dependent perturbative approach to calculate electronic excitations is developed. This approach is then applied to several model systems, and the results are compared to available experimental data, and other theoretical approaches.

This handbook delivers an up-to-date, comprehensive and authoritative coverage of the broad field of surface science, encompassing a range of important materials such metals, semiconductors, insulators, ultrathin films and supported nanoobjects. Over 100 experts from all branches of experiment and theory review in 39 chapters all major aspects of solid-state surfaces, from basic principles to applications, including the latest, ground-breaking research results. Beginning with the fundamental background of kinetics and thermodynamics at surfaces, the handbook leads the reader through the basics of crystallographic structures and electronic properties, to the advanced topics at the forefront of current research. These include but are not limited to novel applications in nanoelectronics, nanomechanical devices, plasmonics, carbon films, catalysis, and biology. The handbook is an ideal reference guide and instructional aid for a wide range of physicists, chemists, materials scientists and engineers active throughout academic and industrial research.

This book gives a representative survey of the state of the art of research on gas-surface interactions. It provides an overview of the current understanding of gas surface dynamics and, in particular, of the reactive and non-reactive processes of atoms and small molecules at surfaces. Leading scientists in the field, both from the theoretical and the experimental sides, write in this book about their most recent advances. Surface science grew as an interdisciplinary research area over the last decades, mostly because of new experimental technologies (ultra-high vacuum, for instance), as well as because of a novel paradigm, the ‘surface science’ approach. The book describes the second transformation which is now taking place pushed by the availability of powerful quantum-mechanical theoretical methods implemented numerically. In the book, experiment and theory progress hand in hand with an unprecedented degree of accuracy and control. The book presents how modern surface science targets the atomic-level understanding of physical and chemical processes at surfaces, with particular emphasis on dynamical aspects. This book is a reference in the field.

Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.

The state-of-the-art theoretical studies of ground state properties, electronic states and atomic vibrations for bulk semiconductors and their surfaces by the application of the pseudopotential method are discussed. Studies of bulk and surface phonon modes have been extended by the application of the phenomenological bond charge model. The coverage of the material, especially of the rapidly growing and technologically important topics of surface reconstruction and chemisorption, is up-to-date and beyond what is currently available in book form. Although theoretical in nature, the book provides a good deal of discussion of available experimental results. Each chapter provides an adequate list of references, relevant for both theoretical and experimental studies. The presentation is coherent and self-contained, and is aimed at the postgraduate and postdoctoral levels.

Complex oxide materials, especially the ABO3-type perovskite materials, have been attracting growing scientific interest due to their unique electro-optical properties, leading to photorefractive effects that form the basis for such devices as holographic storage, optical data processing and phase conjugation. The optical and mechanical properties of non-metals are strongly affected by the defects and impurities that are unavoidable in any real material. Nanoscopically sized surface effects play an important role, especially in multi-layered ABO3 structures, which are good candidates for high capacity memory cells. The 51 papers presented here report the latest developments and new results and will greatly stimulate progress in high-tech technologies using perovskite materials.