In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.

This book covers the fundamental aspects of fiber lasers and fiber amplifiers, and includes a wide range of material from laser physics fundamentals to state-of-the-art topics, as well as industrial applications in the rapidly growing field of quantum electronics. Emphasis is placed on the nonlinear processes taking place in fiber lasers and amplifiers, their similarities, differences to, and their advantages over other solid-state lasers. The reader will learn basic principles of solid-state physics and optical spectroscopy of laser active centers in fibers, main operational laser regimes, and practical recommendations and suggestions on fiber laser research, laser applications, and laser product development. The book will be useful for students, researchers, and professionals who work with lasers, in the optical communications, chemical and biological industries.

X-ray Absorption Spectroscopy (XAS) is a powerful technique with which to probe the properties of matter, equally applicable to the solid, liquid and gas phases. Semiconductors are arguably our most technologically-relevant group of materials given they form the basis of the electronic and photonic devices that now so widely permeate almost every aspect of our society. The most effective utilisation of these materials today and tomorrow necessitates a detailed knowledge of their structural and vibrational properties. Through a series of comprehensive reviews, this book demonstrates the versatility of XAS for semiconductor materials analysis and presents important research activities in this ever growing field. A short introduction of the technique, aimed primarily at XAS newcomers, is followed by twenty independent chapters dedicated to distinct groups of materials. Topics span dopants in crystalline semiconductors and disorder in amorphous semiconductors to alloys and nanometric material as well as in-situ measurements of the effects of temperature and pressure. Summarizing research in their respective fields, the authors highlight important experimental findings and demonstrate the capabilities and applications of the XAS technique. This book provides a comprehensive review and valuable reference guide for both XAS newcomers and experts involved in semiconductor materials research.

This handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements. In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states and a set of tight-binding parameters is provided. For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gaspari-Gyorffy theories and a tabulation of the electron-ion interaction matrix elements. The evaluation of the Stoner criterion for ferromagnetism is examined and results are tabulated. This edition also contains two new appendices discussing the effects of spin-orbit interaction and a modified version of Harrison's tight-binding theory for metals which puts the theory on a quantitative basis.

This thesis focuses on the study of the optical response of new atomically thin two-dimensional crystals, principally the family of transition metal dichalcogenides like MoS2. One central theme of the thesis is the precise treatment of the linear and second-order nonlinear optical susceptibilities of atomically thin transition metal dichalcogenides. In addition to their significant scientific interest as fundamental material responses, these studies provide essential knowledge and convenient characterization tools for the application of these 2D materials in opto-electronic devices. Another important theme of the thesis is the valley physics of atomically thin transition metal dichalcogenides. It is shown that the degeneracy in the valley degree of freedom can be lifted and a valley polarization can be created using a magnetic field, which breaks time reversal symmetry in these materials. These findings enhance our basic understanding of the valley electronic states and open up new opportunities for valleytronic applications using two-dimensional materials.

The book focuses on the solid-state physics, chemistry and electrochemistry that are needed to grasp the technology of and research on high-power Lithium batteries. After an exposition of fundamentals of lithium batteries, it includes experimental techniques used to characterize electrode materials, and a comprehensive analysis of the structural, physical, and chemical properties necessary to insure quality control in production. The different properties specific to each component of the batteries are discussed in order to offer manufacturers the capability to choose which kind of battery should be used: which compromise between power and energy density and which compromise between energy and safety should be made, and for which cycling life. Although attention is primarily on electrode materials since they are paramount in terms of battery performance and cost, different electrolytes are also reviewed in the context of safety concerns and in relation to the solid-electrolyte interface. Separators are also reviewed in light of safety issues. The book is intended not only for scientists and graduate students working on batteries but also for engineers and technologists who want to acquire a sound grounding in the fundamentals of battery science arising from the interaction of electrochemistry, solid state materials science, surfaces and interfaces.

The minimum temperature in the natural universe is 2.7 K. Laboratory refrigerators can reach temperatures in the microkelvin range. Modern industrial refrigerators cool foods at 200 K, whereas space mission payloads must be capable of working at temperatures as low as 20 K. Superconducting magnets used for NMR work at 4.2 K. Hence the properties of materials must be accurately known also at cryogenic temperatures. This book provides a guide for engineers, physicists, chemists, technicians who wish to approach the field of low-temperature material properties. The focus is on the thermal properties and a large spectrum of experimental cases is reported. The book presents updated tables of low-temperature data on materials and a thorough bibliography supplements any further research. Key Features include: Degrees Detailed technical description of experiments Degrees Description of the newest cryogenic apparatus Degrees Offers data on cryogenic properties of the latest new materials Degrees Current reference review

Second volume of a 40-volume series on nanoscience and nanotechnology, edited by the renowned scientist Challa S.S.R. Kumar. This handbook gives a comprehensive overview about UV-visible and photoluminescence spectroscopy for the characterization of nanomaterials. Modern applications and state-of-the-art techniques are covered and make this volume essential reading for research scientists in academia and industry in the related fields.

The study of nonlinear localized excitations is a long-standing challenge for research in basic and applied science, as well as engineering, due to their importance in understanding and predicting phenomena arising in nonlinear and complex systems, but also due to their potential for the development and design of novel applications. This volume is a compilation of chapters representing the current state-of-the-art on the field of localized excitations and their role in the dynamics of complex physical systems.

The book reviews the dramatic recent advances in the use of optical resonators for high sensitivity and high resolution molecular spectroscopy as well as for chemical, mechanical and physical sensing. It encompasses a variety of cavities including those made of two or more mirrors, optical fiber loops, fiber gratings and spherical cavities. The book focuses on novel techniques and their applications. Each chapter is written by an expert and/or pioneer in the field. These experts also provide the theoretical background in optics and molecular physics where needed. Examples of recent breakthroughs include the use of frequency combs (Nobel prize 2005) for cavity enhanced sensing and spectroscopy, the use of novel cavity materials and geometries, the development of optical heterodyne detection techniques combined to active frequency-locking schemes. These methods allow the use and interrogation of optical resonators with a variety of coherent light sources for trace gas detection and sensing of strain, temperature and pressure.

This book starts at an introductory level and leads reader to the most advanced topics in fluorescence imaging and super-resolution techniques that have enabled new developments such as nanobioimaging, multiphoton microscopy, nanometrology and nanosensors. The interdisciplinary subject of fluorescence microscopy and imaging requires complete knowledge of imaging optics and molecular physics. So, this book approaches the subject by introducing optical imaging concepts before going in more depth about advanced imaging systems and their applications. Additionally, molecular orbital theory is the important basis to present molecular physics and gain a complete understanding of light-matter interaction at the geometrical focus. The two disciplines have some overlap since light controls the molecular states of molecules and conversely, molecular states control the emitted light. These two mechanisms together determine essential imaging factors such as, molecular cross-section, Stoke shift, emission and absorption spectra, quantum yield, signal-to-noise ratio, Forster resonance energy transfer (FRET), fluorescence recovery after photobleaching (FRAP) and fluorescence lifetime. These factors form the basis of many fluorescence based devices. The book is organized into two parts. The first part deals with basics of imaging optics and its applications. The advanced part takes care of several imaging techniques and related instrumentation that are developed in the last decade pointing towards far-field diffraction unlimited imaging.

This book is the result of a working group sponsored by ISSI in Bern, which was initially created to study possible ways to calibrate a Far Ultraviolet (FUV) instrument after launch. In most cases, ultraviolet instruments are well calibrated on the ground, but unfortunately, optics and detectors in the FUV are very sensitive to contaminants and it is very challenging to prevent contamination before and during the test and launch sequences of a space mission. Therefore, ground calibrations need to be confirmed after launch and it is necessary to keep track of the temporal evolution of the sensitivity of the instrument during the mission. The studies presented here cover various fields of FUV spectroscopy, including a catalog of stellar spectra, datasets of Moon Irradiance, observations of comets and measurements of the interplanetary background. Detailed modelling of the interplanetary background is presented as well. This work also includes comparisons of older datasets with current ones. This raises the question of the consistency of the existing datasets. Previous experiments have been calibrated independently and comparison of the datasets may lead to inconsistencies. The authors have tried to check that possibility in the datasets and when relevant suggest a correction factor for the corresponding data.

Since the publishing of the first edition, the methodologies and instrumentation involved in the field of mass spectrometry-based proteomics has improved considerably. Fully revised and expanded, Mass Spectrometry Data Analysis in Proteomics, Second Edition presents expert chapters on specific MS-based methods or data analysis strategies in proteomics. The volume covers data analysis topics relevant for quantitative proteomics, post translational modification, HX-MS, glycomics, and data exchange standards, among other topics. Written in the highly successful Methods in Molecular Biology series format, chapters include brief introductions to their respective subjects, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Updated and authoritative, Mass Spectrometry Data Analysis in Proteomics, Second Edition serves as a detailed guide for all researchers seeking to further our knowledge in the field of proteomics.

This book presents the latest developments in Femtosecond Chemistry and Physics for the study of ultrafast photo-induced molecular processes. Molecular systems, from the simplest H2 molecule to polymers or biological macromolecules, constitute central objects of interest for Physics, Chemistry and Biology, and despite the broad range of phenomena that they exhibit, they share some common behaviors. One of the most significant of those is that many of the processes involving chemical transformation (nuclear reorganization, bond breaking, bond making) take place in an extraordinarily short time, in or around the femtosecond temporal scale (1 fs = 10-15 s). A number of experimental approaches - very particularly the developments in the generation and manipulation of ultrashort laser pulses - coupled with theoretical progress, provide the ultrafast scientist with powerful tools to understand matter and its interaction with light, at this spatial and temporal scale. This book is an attempt to reunite some of the state-of-the-art research that is being carried out in the field of ultrafast molecular science, from theoretical developments, through new phenomena induced by intense laser fields, to the latest techniques applied to the study of molecular dynamics.

Technology of Quantum Devices offers a multi-disciplinary overview of solid state physics, photonics and semiconductor growth and fabrication. Readers will find up-to-date coverage of compound semiconductors, crystal growth techniques, silicon and compound semiconductor device technology, in addition to intersubband and semiconductor lasers. Recent findings in quantum tunneling transport, quantum well intersubband photodetectors (QWIP) and quantum dot photodetectors (QWDIP) are described, along with a thorough set of sample problems.

This book provides a thorough account of the current status of achievements made in the area of soft X-Ray laser source development and of the increasingly diverse applications being demonstrated using such radiation sources. There is significant effort worldwide to develop very bright, short duration radiation sources in the X-Ray spectral region - driven by the multitude of potential applications in all branches of science. This book contains updates on several different approaches for comparative purposes but concentrates on developments in the area of laser-produced plasmas, whereby transient population inversion and gain between ion states is pumped by optical lasers interacting with pre-formed plasmas. Topics covered will include Laser-driven XRLs, Collisional XRLs, Recombination XRLs, Transient Inversion Collisional XRLs, Optical Field Ionization XRLs, Alternative XRL, pumping schemes Theory and simulations of XRL gain media and beam properties High order harmonic sources of XUV radiation, Free-electron lasers and other accelerator based X-Ray sources, X-Ray Laser drives, X-Ray optics and instrumentation Spectroscopy, and other diagnostics of laser media Applications of XRLs.

This book presents a unified outlook on counter-current, ion size exclusion, supercritical fluids, high-performance thin layers, and gas and size exclusion chromatographic techniques used for the separation and purification of organic and inorganic analytes. It also describes a number of green techniques, green sample preparation methods and optimization of solvent consumption in the chromatographic analysis of organic and inorganic analytes. This book offers a valuable resource not only for learners, but also for more experienced chromatographers, conveying a deeper understanding of green chromatographic techniques, green solvents and preparation methods.

This book presents the dispersion relation in heavily doped nano-structures. The materials considered are III-V, II-VI, IV-VI, GaP, Ge, Platinum Antimonide, stressed, GaSb, Te, II-V, HgTe/CdTe superlattices and Bismuth Telluride semiconductors. The dispersion relation is discussed under magnetic quantization and on the basis of carrier energy spectra. The influences of magnetic field, magneto inversion, and magneto nipi structures on nano-structures is analyzed. The band structure of optoelectronic materials changes with photo-excitation in a fundamental way according to newly formulated electron dispersion laws. They control the quantum effect in optoelectronic devices in the presence of light. The measurement of band gaps in optoelectronic materials in the presence of external photo-excitation is displayed. The influences of magnetic quantization, crossed electric and quantizing fields, intense electric fields on the on the dispersion relation in heavily doped semiconductors and super-lattices are also discussed. This book contains 200 open research problems which form the integral part of the text and are useful for graduate students and researchers. The book is written for post graduate students, researchers and engineers.

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.

Reflecting the expanding field's need for reliable protocols, Fluorescence Spectroscopy and Microscopy: Methods and Protocols offers techniques from a worldwide team of experts on this versatile and vital subject. The topics covered fall into four broad categories: steady-state fluorescence spectroscopy, time-resolved fluorescence spectroscopy, fluorescent probe development, and the various sub-categories of fluorescence microscopy, such as fluorescence recovery after photobleaching (FRAP), live cell FRET imaging (FRETim), fluorescence lifetime imaging (FLIM), fluorescence fluctuation spectroscopy (FFS), and single-molecule fluorescence spectroscopy (smFS). Written as a part of the popular Methods in Molecular Biology series, chapters include the kind of unambiguous detail and key implementation advice that proves essential for successful results. Comprehensive and practical, Fluorescence Spectroscopy and Microscopy: Methods and Protocols aims to guide both 'novice' and established scientists toward furthering their research with these invaluable techniques.

The book bridges the gap between fundamental physics courses (such as optics, electrodynamics, quantum mechanics and solid state physics) and highly specialized literature on the spectroscopy, design, and application of optical thin film coatings. Basic knowledge from the above-mentioned courses is therefore presumed. Starting from fundamental physics, the book enables the reader derive the theory of optical coatings and to apply it to practically important spectroscopic problems. Both classical and semiclassical approaches are included. Examples describe the full range of classical optical coatings in various spectral regions as well as highly specialized new topics such as rugate filters and resonant grating waveguide structures. The second edition has been updated and extended with respect to probing matter in different spectral regions, homogenous and inhomogeneous line broadening mechanisms and the Fresnel formula for the effect of planar interfaces.

This book deals with standard spectroscopic techniques which can be used to analyze semiconductor samples or devices, in both, bulk, micrometer and submicrometer scale. The book aims helping experimental physicists and engineers to choose the right analytical spectroscopic technique in order to get specific information about their specific demands. For this purpose, the techniques including technical details such as apparatus and probed sample region are described. More important, also the expected outcome from experiments is provided. This involves also the link to theory, that is not subject of this book, and the link to current experimental results in the literature which are presented in a review-like style. Many special spectroscopic techniques are introduced and their relationship to the standard techniques is revealed. Thus the book works also as a type of guide or reference book for people researching in optical spectroscopy of semiconductors.

This book provides the most updated information of how membrane lipids mediate protein signaling from studies carried out in animal and plant cells. Also, there are some chapters that go beyond and expand these studies of protein-lipid interactions at the structural level. The book begins with a literature review from investigations associated to sphingolipids, followed by studies that describe the role of phosphoinositides in signaling and closing with the function of other key lipids in signaling at the plasma membrane and intracellular organelles.

This book presents an overview of material-specific factors that influence Tc and give rise to diverse Tc values for copper oxides and iron-based high- Tc superconductors on the basis of more than 25 years of experimental data, to most of which the author has made important contributions. The book then explains why both compounds are distinct from others with similar crystal structure and whether or not one can enhance Tc, which in turn gives a hint on the unresolved pairing mechanism. This is an unprecedented new approach to the problem of high-temperature superconductivity and thus will be inspiring to both specialists and non-specialists interested in this field. Readers will receive in-depth information on the past, present, and future of high-temperature superconductors, along with special, updated information on what the real highest Tc values are and particularly on the possibility of enhancing Tc for each member material, which is important for application. At this time, the highest Tc has not been improved for 20 years, and no new superconductors have been discovered for 5 years. This book will encourage researchers as well as graduate-course students not to give up on the challenges in the future of high- Tc superconductivity.

SELDI is distinct from other TOF-MS technologies in that it couples features of chromatography and mass spectrometry, facilitating analyte enrichment and sample cleanup on an array surface. In the growing field of proteomics, SELDI technology has been widely used for biomarker discovery and characterization in diverse applications including diagnostics, drug development, and basic research. SELDI-based biomarker studies can typically be divided into four phases: discovery, validation, purification and identification, and assay development. SELDI-TOF Mass Spectrometry: Methods and Protocols provides an overview of the current applications of SELDI-TOF MS (surface enhanced laser desorption/ionization time-of-flight mass spectrometry), with an emphasis on study and experimental design, data analysis and interpretation, and assay development. Written in the highly successful Methods in Molecular Biology (TM) series format, chapters contain introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and accessible, SELDI-TOF Mass Spectrometry: Methods and Protocols will provide information on optimizing study design, experimental protocols, and data analysis and interpretation to yield robust biomarkers and biomarker assays, using examples from different disease areas.