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First Principles Study Of Excitation On Transition Metal Oxides By Linear Response Method
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Book Synopsis First Principles Approaches to Spectroscopic Properties of Complex Materials by : Cristiana Di Valentin
Download or read book First Principles Approaches to Spectroscopic Properties of Complex Materials written by Cristiana Di Valentin and published by Springer. This book was released on 2014-09-26 with total page 397 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2007 with total page 960 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2540 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Nonadiabatic Transition by : Hiroki Nakamura
Download or read book Nonadiabatic Transition written by Hiroki Nakamura and published by World Scientific. This book was released on 2012 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. In this new edition, the original chapters are updated to facilitate enhanced understanding of the concept and applications. Three new chapters OCo comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions OCo are also added.
Download or read book Oxide Surfaces written by and published by Elsevier. This book was released on 2001-05-21 with total page 677 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from 'simple' rocksalt materials such as MgO through to complex transition metal oxides with different valencies.
Book Synopsis Advanced Calculations for Defects in Materials by : Audrius Alkauskas
Download or read book Advanced Calculations for Defects in Materials written by Audrius Alkauskas and published by John Wiley & Sons. This book was released on 2011-05-16 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the merits of hybrid and screened functionals, as well as of the +U methods are assessed in comparison to various perturbative and Quantum Monte Carlo many body theories. The inclusion of excitonic effects is also discussed by way of solving the Bethe-Salpeter equation or by using time-dependent DFT, based on GW or hybrid functional calculations. Particular attention is paid to overcome the side effects connected to finite size modeling. The editors are well known authorities in this field, and very knowledgeable of past developments as well as current advances. In turn, they have selected respected scientists as chapter authors to provide an expert view of the latest advances. The result is a clear overview of the connections and boundaries between these methods, as well as the broad criteria determining the choice between them for a given problem. Readers will find various correction schemes for the supercell model, a description of alternatives by applying embedding techniques, as well as algorithmic improvements allowing the treatment of an ever larger number of atoms at a high level of sophistication.
Book Synopsis Many-Particle Physics by : Gerald D. Mahan
Download or read book Many-Particle Physics written by Gerald D. Mahan and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 1042 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook is for a course in advanced solid-state theory. It is aimed at graduate students in their third or fourth year of study who wish to learn the advanced techniques of solid-state theoretical physics. The method of Green's functions is introduced at the beginning and used throughout. Indeed, it could be considered a book on practical applications of Green's functions, although I prefer to call it a book on physics. The method of Green's functions has been used by many theorists to derive equations which, when solved, provide an accurate numerical description of many processes in solids and quantum fluids. In this book I attempt to summarize many of these theories in order to show how Green's functions are used to solve real problems. My goal, in writing each section, is to describe calculations which can be compared with experiments and to provide these comparisons whenever available. The student is expected to have a background in quantum mechanics at the level acquired from a graduate course using the textbook by either L. I. Schiff, A. S. Davydov, or I. Landau and E. M. Lifshiftz. Similarly, a prior course in solid-state physics is expected, since the reader is assumed to know concepts such as Brillouin zones and energy band theory. Each chapter has problems which are an important part of the lesson; the problems often provide physical insights which are not in the text. Sometimes the answers to the problems are provided, but usually not.
Book Synopsis Core Level Spectroscopy of Solids by : Frank de Groot
Download or read book Core Level Spectroscopy of Solids written by Frank de Groot and published by CRC Press. This book was released on 2008-03-10 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: Core level spectroscopy has become a powerful tool in the study of electronic states in solids. From fundamental aspects to the most recent developments, Core Level Spectroscopy of Solids presents the theoretical calculations, experimental data, and underlying physics of x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS), x
Book Synopsis Phosphors, Up Conversion Nano Particles, Quantum Dots and Their Applications by : Ru-Shi Liu
Download or read book Phosphors, Up Conversion Nano Particles, Quantum Dots and Their Applications written by Ru-Shi Liu and published by Springer. This book was released on 2016-10-04 with total page 593 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces readers to fundamental information on phosphor and quantum dots. It comprehensively reviews the latest research advances in and applications of fluoride phosphors, oxide phosphors, nitridosilicate phosphors and various quantum dot materials. Phosphors and phosphor-based quantum dot materials have recently gained considerable scientific interest due to their wide range of applications in lighting, displays, medical and telecommunication technologies. This work will be of great interest to researchers and graduate students in materials sciences and chemistry who wish to learn more about the principles, synthesis and analysis of phosphors and quantum dot materials.
Book Synopsis Electronic Structure Calculations for Solids and Molecules by : Jorge Kohanoff
Download or read book Electronic Structure Calculations for Solids and Molecules written by Jorge Kohanoff and published by Cambridge University Press. This book was released on 2006-06-29 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Download or read book Atomic Clusters written by and published by Elsevier. This book was released on 2007-05-24 with total page 649 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic Clusters: From Gas Phase to Deposited brings together a series of chapters, prepared by acknowledged experts in their fields. Both fundamental and practical aspects are addressed of the physics and chemistry of a novel state of matter, namely clusters of small numbers of atoms of nanometre dimensions. This is a field of nanoscience that existed before the word was invented, but has particularly achieved major advances in the recent years.* Contributions from leading experts in solid surfaces research* Cluster science is concerned with the properties of materials on the nano-metre scale* Brings together work on both free (gas-phase) clusters and those deposited on surfaces
Download or read book Spin Current written by Sadamichi Maekawa and published by Oxford University Press. This book was released on 2017 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: In a new branch of physics and technology, called spin-electronics or spintronics, the flow of electrical charge (usual current) as well as the flow of electron spin, the so-called "spin current", are manipulated and controlled together. This book is intended to provide an introduction and guide to the new physics and applications of spin current.
Book Synopsis Spectroscopy of Complex Oxide Interfaces by : Claudia Cancellieri
Download or read book Spectroscopy of Complex Oxide Interfaces written by Claudia Cancellieri and published by Springer. This book was released on 2018-04-09 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the most recent and compelling experimental results for complex oxide interfaces. The results of this book were obtained with the cutting-edge photoemission technique at highest energy resolution. Due to their fascinating properties for new-generation electronic devices and the challenge of investigating buried regions, the book chiefly focuses on complex oxide interfaces. The crucial feature of exploring buried interfaces is the use of soft X-ray angle-resolved photoemission spectroscopy (ARPES) operating on the energy range of a few hundred eV to increase the photoelectron mean free path, enabling the photons to penetrate through the top layers – in contrast to conventional ultraviolet (UV)-ARPES techniques. The results presented here, achieved by different research groups around the world, are summarized in a clearly structured way and discussed in comparison with other photoemission spectroscopy techniques and other oxide materials. They are complemented and supported by the most recent theoretical calculations as well as results of complementary experimental techniques including electron transport and inelastic resonant X-ray scattering.
Download or read book Applied Mechanics Reviews written by and published by . This book was released on 1987 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Planewaves, Pseudopotentials, and the LAPW Method by : David J. Singh
Download or read book Planewaves, Pseudopotentials, and the LAPW Method written by David J. Singh and published by Springer Science & Business Media. This book was released on 2006-10-12 with total page 142 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first edition of this book, published in 1994, provided an exposition of the LAPW method and its relationship with other electronic structure approaches, especially Car-Parrinello based planewave methods. Since publication of that book, the LAPW method has been transformed from a specialized method used mostly by researchers running their own home made versions, to a popular, widely used method, where most users run standard codes to investigate ma terials of interest to them. This is an exciting development because it opens the door to widespread use of first principles calculations in diverse areas of condensed matter physics and materials science. The positive impact of this on scientific progress is already becoming clear. Also as a result of this trend, the great majority of researchers using the LAPW method are no longer directly in volved in the development of LAPW codes. Nonetheless, it remains important to understand how the LAPW method works, what its limitations are, and how its parameters determine the quahty and efficiency of calculations. The scientist with an understanding of how the method works has a clear advantage. This edition is an updated and expanded treatment of the LAPW method, including descriptions of key developments in the LAPW method since 1994, such as p 1/2 local orbitals, the APW-i-LO method, LDA+U calculations and non-collinear magnetism, as well as much of the material from the first edition.
Book Synopsis Two-Dimensional Transition-Metal Dichalcogenides by : Alexander V. Kolobov
Download or read book Two-Dimensional Transition-Metal Dichalcogenides written by Alexander V. Kolobov and published by Springer. This book was released on 2016-07-26 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the current status of theoretical and experimental progress in 2 dimensional graphene-like monolayers and few-layers of transition metal dichalcogenides (TMDCs). Semiconducting monolayer TMDCs, due to the presence of a direct gap, significantly extend the potential of low-dimensional nanomaterials for applications in nanoelectronics and nano-optoelectronics as well as flexible nano-electronics with unprecedented possibilities to control the gap by external stimuli. Strong quantum confinement results in extremely high exciton binding energies which forms an interesting platform for both fundamental studies and device applications. Breaking of spatial inversion symmetry in monolayers results in strong spin-valley coupling potentially leading to their use in valleytronics. Starting with the basic chemistry of transition metals, the reader is introduced to the rich field of transition metal dichalcogenides. After a chapter on three dimensional crystals and a description of top-down and bottom-up fabrication methods of few-layer and single layer structures, the fascinating world of two-dimensional TMDCs structures is presented with their unique atomic, electronic, and magnetic properties. The book covers in detail particular features associated with decreased dimensionality such as stability and phase-transitions in monolayers, the appearance of a direct gap, large binding energy of 2D excitons and trions and their dynamics, Raman scattering associated with decreased dimensionality, extraordinarily strong light-matter interaction, layer-dependent photoluminescence properties, new physics associated with the destruction of the spatial inversion symmetry of the bulk phase, spin-orbit and spin-valley couplings. The book concludes with chapters on engineered heterostructures and device applications such as a monolayer MoS2 transistor. Considering the explosive interest in physics and applications of two-dimensional materials, this book is a valuable source of information for material scientists and engineers working in the field as well as for the graduate students majoring in materials science.
