This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

Supplying a need that has been evident to researchers and students for several years, this is the first modern work to cover all the practical aspects of surface vibrational spectroscopy, from basic principles to structure-property relations and interfaces. This comprehensive overview tackles the vibrational spectroscopic features of both small and large molecules on surfaces and details the theory and practice of normal coordinate analysis with simple matrix calculation...bulk and surface spectroscopy...all necessary band assignments...and the structural identification and structure-property relations of monomers and polymers on surfaces. Readers will find detailed coverage of surface vibration theory, models, and experimental approaches; light-matter interactions, including infrared and Raman spectroscopy; adsorption on metal oxides from alkaline earth oxides to zeolites; modification and degradation of the polymeric surfaces of thermoplastic polymers and thermosetting; surfaces, interphases, and interfacial regions; and surfactants, colloidal interfaces, and thin films on surfaces. By enabling readers to correlate surface and interface vibrational features with the structures that cause them, this unique work is sure to prove to be an indispensable reference work for researchers and students alike.

Denise Reichel studies the delicate subject of temperature measurement during lamp-based annealing of semiconductors, in particular during flash lamp annealing. The approach of background-correction using amplitude-modulated light to obtain the sample reflectivity is reinvented from rapid thermal annealing to apply to millisecond annealing. The author presents a new method independent of the lamp operation to obtain this amplitude modulation and derives a formula to describe the process. Further, she investigates the variables of the formula in depth to validate the method's suitability for background-corrected temperature measurement. The experimental results finally proof its power for elevated temperatures.

This thesis addresses fundamental scientific questions such as: How are complex natural products synthesized in vivo? Can we replicate these conditions in a laboratory environment? What is the biological function of such secondary metabolites? What are the biological origins of chirality? These issues are explored in an accessible manner using a multidisciplinary approach spanning chemistry, biology and physics to investigate an interesting family of complex natural products isolated from marine molluscs - the tridachiahydropyrones. The work has achieved: Elegant biomimetic syntheses of a number of the tridachiahydropyrone compounds in vitro using organic synthesis techniques The characterization of the interactions between these compounds and a range of model membrane systems using a series of fluorescence spectroscopic studies The investigation of the antioxidant and photoprotective properties of the compounds by means of biophysical assay techniques The synthesis of tridachiahydropyrone utilizing the model membrane systems as biomimetic reaction media.

This book covers the Resistivity Recovery (RR) technique, underlying its physical principles, performance and problematic. A concise review on the state of the art is provided, showing the advances in radiation modelling, linking both experimental and theoretical fields. The reader will find a data compilation and comparison of up-to-date results obtained from the European Fusion Development Agreement model alloys.

This is the first volume of textbooks on atomic, molecular and optical physics, aiming at a comprehensive presentation of this highly productive branch of modern physics as an indispensable basis for many areas in physics and chemistry as well as in state of the art bio- and material-sciences. It primarily addresses advanced students (including PhD students), but in a number of selected subject areas the reader is lead up to the frontiers of present research. Thus even the active scientist is addressed. This volume 1 provides the canonical knowledge in atomic physics together with basics of modern spectroscopy. Starting from the fundamentals of quantum physics, the reader is familiarized in well structured chapters step by step with the most important phenomena, models and measuring techniques. The emphasis is always on the experiment and its interpretation, while the necessary theory is introduced from this perspective in a compact and occasionally somewhat heuristic manner, easy to follow even for beginners.

This book embraces the entire range of problems associated with phase equilibria in "tungsten - carbon" binary system and related ternary systems, nonstoichiometry, disorder and order in different tungsten carbides, electronic and crystal structure of these carbides. The main application of tungsten carbides is constituent in hardmetals for cutting tools. In the last 20 years, the most active efforts were made in synthesis and application of nanocrystalline tungsten carbide for the production of nanostructured hardmetals. The present book describes in detail different methods for production of nanocrystalline tungsten carbide. The peculiarities of sintering of Co hardmetals from nanocrystalline powders having different particle sizes are discussed. Materials scientists using tungsten carbide to create novel superhard and tough materials will find this book particularly useful.

The many-body-theoretical basis and applications of theoretical spectroscopy of condensed matter, e.g. crystals, nanosystems, and molecules are unified in one advanced text for readers from graduate students to active researchers in the field. The theory is developed from first principles including fully the electron-electron interaction and spin interactions. It is based on the many-body perturbation theory, a quantum-field-theoretical description, and Green's functions. The important expressions for ground states as well as electronic single-particle and pair excitations are explained. Based on single-particle and two-particle Green's functions, the Dyson and Bethe-Salpeter equations are derived. They are applied to calculate spectral and response functions. Important spectra are those which can be measured using photoemission/inverse photoemission, optical spectroscopy, and electron energy loss/inelastic X-ray spectroscopy. Important approximations are derived and discussed in the light of selected computational and experimental results. Some numerical implementations available in well-known computer codes are critically discussed. The book is divided into four parts: (i) In the first part the many-electron systems are described in the framework of the quantum-field theory. The electron spin and the spin-orbit interaction are taken into account. Sum rules are derived. (ii) The second part is mainly related to the ground state of electronic systems. The total energy is treated within the density functional theory. The most important approximations for exchange and correlation are delighted. (iii) The third part is essentially devoted to the description of charged electronic excitations such as electrons and holes. Central approximations as Hedin's GW and the T-matrix approximation are discussed.(iv) The fourth part is focused on response functions measured in optical and loss spectroscopies and neutral pair or collective excitations.

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.

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.

Filters are essential subsystems in a huge variety of electronic systems. Filter applications are innumerable; they are used for noise reduction, demodulation, signal detection, multiplexing, sampling, sound and speech processing, transmission line equalization and image processing, to name just a few. In practice, no electronic system can exist without filters. They can be found in everything from power supplies to mobile phones and hard disk drives and from loudspeakers and MP3 players to home cinema systems and broadband Internet connections. This textbook introduces basic concepts and methods and the associated mathematical and computational tools employed in electronic filter theory, synthesis and design. This book can be used as an integral part of undergraduate courses on analog electronic filters. Includes numerous, solved examples, applied examples and exercises for each chapter. Includes detailed coverage of active and passive filters in an independent but correlated manner. Emphasizes real filter design from the outset. Uses a rigorous but simplified approach to theoretical concepts and reinforces understanding through real design examples. Presents necessary theoretical background and mathematical formulations for the design of passive and active filters in a natural manner that makes the use of standard tables and nomographs unnecessary and superfluous even in the most mystifiying case of elliptic filters. Uses a step-by-step presentation for all filter design procedures and demonstrates these in numerous example applications. .

This book presents research into chemical, biological, radiological and nuclear (CBRN) defense and environmental security, exploring practical implications of the research. Contributions from a diverse group of international civilian researchers present the latest work on nanotechnology problems in this area, looking at detection, protective technologies, decontamination and threats to environmental security due to bacteriophages and nanomaterials. Highlights include the potential of Atomic Force Microscopy (AFM) to characterize the nanoscale properties of microbial pathogens, the development of bacteriophage-based therapeutics, prophylactic and diagnostic preparations and their uses in different fields, such as medicine, veterinary, agriculture, food and water safety, amongst others. Readers may also consider an inexpensive bioassay suited for assessing chemical poisoning in the environment such as the presence of pesticides, sensors to detect ultra-trace quantities of the explosive Pentaerythritol tetranitrate (PETN) using nanotubes and electrochemical sensors to simultaneously detect and reduce the explosive trinitrotoluene (TNT) to 2,4,6-triaminotoluene (TAT) in solution. This book shows how cooperative research among NATO countries and NATO partners can make a critical contribution to meeting the opportunities and challenges of nanotechnology problems relevant to chemical and biological defense needs. The papers presented here are representative of contributions made to the Advanced Research Workshop (ARW) on September 22-26, 2014 in Antalya, Turkey, to address the NATO SPS Key Priority of Defense against CBRN Agents and Environmental Security.

Ken M. Harrison's latest book is a complete guide for amateur astronomers who want to obtain detailed narrowband images of the Sun using a digital spectroheliograph (SHG). The SHG allows the safe imaging of the Sun without the expense of commercial 'etalon' solar filters. As the supporting software continues to be refined, the use of the digital spectroheliograph will become more and more mainstream and has the potential to replace the expensive solar filters currently in use. The early chapters briefly explain the concept of the SHG and how it can produce an image from the solar spectrum. A comparison of the currently available narrow band solar filters is followed by a detailed analysis of the critical design, construction and assembly features of the SHG. The design and optimum layout of the instrument is discussed to allow evaluation of performance. This information explains how to assemble a fully functional SHG using readily available components. The software required to process the images is explained and step by step examples provided, with various digital instruments around the world highlighted based on input from many experienced amateurs who have shared their experience in building and using their spectroheliographs. The final chapters provide a historical overview of the traditional spectroheliograph and the later spectrohelioscope, from the initial G.E.Hale and Deslandres concepts of the 1890's through to the later work by Veio and others. The construction and performance of various instruments is covered in detail, and provides a unique opportunity to record and appreciate the groundbreaking researches carried out by amateurs in the 20th century. This is an absolutely up to date book which fully addresses the watershed, game changing influence of the digital imaging revolution on the traditional spectroheliograph.

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.

Advances in space-borne remote sensing have significantly changed the mankind viewpoint how to observe our own Earth planet. Great amount of remote sensing data and images presents new resources to quantitatively describe and monitor our Earth environment, atmosphere, oceanic and land surfaces. In remote sensing, electromagnetic (EM) scattering, emission and wave propagation, as interaction with the Earth environment, lay the physical basis for understanding and extracting geoscientific information. Study of electromagnetic waves with remote sensing application has become an active and interdisciplinary area. This book presents some new progress on the theoretical and numerical approaches for information retrieval of the remote sensing via EM scattering and emission. We begin in Chapter 1 with the vector radiative transfer (VRT) theory for inhomogeneous scatter media. The VRT takes account of multiple scattering, emission and propagation of random scatter media, and quantitatively leads to insights of elucidating and understanding EM wave-terrain surface interaction. Meanwhile, it is extensively applicable to carrying out data interpretation and validation, and to solving the inverse problem, e.g. iteratively, physically or statistically. In Chapter 1, iterative solutions of multiple scattering and emission from inhomogeneous dense scatter media, and inhomogeneous non-spherical scatter media are discussed. Three-dimensional VRT equation (3D-VRT) for spatially inhomogeneous random scatter media for high resolution observation is also investigated. The polarimetric imagery of synthetic aperture radar (SAR) technology is one of most important advances in space-borne microwave remote sensing during recent decades.

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.

This book highlights the basics of crystal optics methods and refractive index (RI) measurement techniques in various solids, as well as their scientific and technological applications. In addition to new techniques for cases when traditional techniques are impractical, such as for highly refracting powders, anomalous dispersion of light in the studied solid, or for colloids, it also describes conventional methods of RI measurement.

This book presents cutting-edge research on a wide range of nanotechnology techniques and applications. It features contributions from scientists who participated in the International Summer School "Nanotechnology: From Fundamental Research to Innovations" in Bukovel, Ukraine on August 26 - September 2, 2012 funded by the European Commission FP7 project Nanotwinning implemented by the Institute of Physics of National Academy of Sciences of Ukraine and partner institutions: University of Tartu (Estonia), European Profiles A.E. (Greece), University of Turin (Italy) and Universite Pierre et Marie Curie (France). Worldwide experts present the latest results on such key topics as microscopy of nanostructures; nanocomposites; nanostructured interfaces and surfaces; nanooptics; nanoplasmonics; and enhanced vibrational spectroscopy. Imaging technique coverage ranges from atomic force microscopy and spectroscopy, multiphoton imagery, and laser diagnostics of nanomaterials and nanostructures, to resonance Raman and SERS for surface characterization, and scanning tunneling microscopy of organic molecules. The breadth of topics highlights the exciting variety of research currently being undertaken in this field and suggests new opportunities for interdisciplinary collaboration and future research.

Colloidal nanocrystals show much promise as an optoelectronics architecture due to facile control over electronic properties afforded by chemical control of size, shape, and heterostructure. Unfortunately, realizing practical devices has been forestalled by the ubiquitous presence of charge "trap" states which compete with band-edge excitons and result in limited device efficiencies. Little is known about the defining characteristics of these traps, making engineered strategies for their removal difficult. This thesis outlines pulsed optically detected magnetic resonance as a powerful spectroscopy of the chemical and electronic nature of these deleterious states. Counterintuitive for such heavy atom materials, some trap species possess very long spin coherence lifetimes (up to 1.6 s). This quality allows use of the trapped charge's magnetic moment as a local probe of the trap state itself and its local environment. Beyond state characterization, this spectroscopy can demonstrate novel effects in heterostructured nanocrystals, such as spatially-remote readout of spin information and the coherent control of light harvesting yield.

The 6th International Conference on Laser Probing (LAP2012) had been held in Paris at the Institut Henri Poincare. It highlighted the state of the art in Laser Probing and reinforced the common ground and synergies among the different actors in the field. The Institut de Physique Nucleaire d'Orsay and the Grand Accelerateur National d'Ions Lourds in Caen had been in charge of the organization of this event, co-sponsored by the Institut National de Physique Nucleaire et de Physique des Particules (IN2P3) and the Laboratory Physique des 2 Infinis et des Origines (P2IO). Previously published as special issue of Hyperfine Interactions, vol. 216, 1-3.

This book discusses the promising area of perovskite-based solar cells. It places particular emphasis on a highly unique perovskite solar cell structure, focusing on the special properties of hybrid organic-inorganic perovskites. As such, it offers readers sound essentials, serving as building blocks for the future development of this rapidly evolving field.

Proceedings of the 4th Joint International Conference on Hyperfine Interactions and International Symposium on Nuclear Quadrupole Interactions, HFI/NQI 2012 held in Beijing, China, September 10-14, 2012. The hyperfine interaction between the atomic nucleus and the surrounding charge distribution and the magnetic fields at the site of the nucleus remains a topic of high scientific interest. To this we have to add the field of nuclear quantum optics where the hyperfine interaction takes place between the atomic nucleus and synchrotron radiation. The study of this hyperfine interaction allows to shift the existing borders of scientific insight both in the properties of the atomic nucleus as in the properties of the solids and liquids in which it is imbedded. The 47 scientific contributions in this book describe studies presented at the HFI/NQI2012 conference. These studies are devoted to topics such as nuclear moments, nuclear polarization, fundamental interactions, magnetism and magnetic materials, semiconductors, metals, insulators, practical applications, developments in methodology and new directions in the field of hyperfine interactions.

NMR Spectroscopy for Chemical Analysis at Low Magnetic Fields, by Stefan Gloeggler, Bernhard Blumich, Stephan Appelt Dynamic Nuclear Hyperpolarization in Liquids, by Ulrich L. Gunther NMR with Multiple Receivers, by Eriks Kupce TROSY NMR Spectroscopy of Large Soluble Proteins, by Yingqi Xu, Stephen Matthews Solid-State NMR Spectroscopy of Proteins, by Henrik Muller, Manuel Etzkorn, Henrike Heise Paramagnetic Solid-State Magic-Angle Spinning NMR Spectroscopy, by Guido Pintacuda, Gwendal Kervern

This book provides an excellent overview on the most recent results on the industrial applications of Mossbauer spectroscopy attained on the fields of nanotechnology, metallurgy, biotechnology and pharmaceutical industry, applied mineralogy, energy production industry (coal, oil, nuclear, solar, etc.), computer industry, space technology, electronic and magnetic devices technology, ion implantation technology, including topics like characterization of novel construction materials, electronic components and magnetic materials, composite materials, colloids, amorphous and nanophase materials, small particles, coatings, interfaces, thin films and multilayers, catalysis, corrosion, tribology, surface modification, hydrogen storage, ball milling, radiation effects, electrochemistry, batteries, etc. From the various reports a broad overview emerges illustrating that the method can successfully be applied in a wide variety of topics.
Previously published in the journal Hyperfine Interactions.

Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid -state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO methods for chemical bonding analysis in periodic systems are discussed. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties, including magnetic ordering and crystal structure optimization. In the second edition two new chapters are added in the application part II of the book. Chapter 12 deals with the recent LCAO calculations and illustrates the efficiency of the scalar-relativistic LCAO method for solids, containing heavy atoms. Chapter 13 deals with the symmetry properties and the recent applications of LCAO method to inorganic nanotubes. New material is added to chapter 9 devoted to LCAO calculations of perfect-crystal properties. The possibilities of LCAO method for calculation of the high-frequency dielectric constants of crystals and the description of phase transitions in solids are discussed. The efficiency of LCAO method in the quantum-mechanics-molecular dynamics approach to the interpretation of x-ray absorption and EXAFS spectra is illustrated. A new section is devoted to recent LCAO calculations of electronic, vibrational and magnetic properties of tungstates MeWO4 (Me: Fe,Co,Ni,Cu,Zn,Cd).