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Author: Johann-Martin Spaeth Publisher: Springer Science & Business Media ISBN: 9783540426950 Category : Technology & Engineering Languages : en Pages : 508
Book Description
The precedent book with the title "Structural Analysis of Point Defects in Solids: An introduction to multiple magnetic resonance spectroscopy" ap peared about 10 years ago. Since then a very active development has oc curred both with respect to the experimental methods and the theoretical interpretation of the experimental results. It would therefore not have been sufficient to simply publish a second edition of the precedent book with cor rections and a few additions. Furthermore the application of the multiple magnetic resonance methods has more and more shifted towards materials science and represents one of the important methods of materials analysis. Multiple magnetic resonances are used less now for "fundamental" studies in solid state physics. Therefore a more "pedestrian" access to the meth ods is called for to help the materials scientist to use them or to appreciate results obtained by using these methods. We have kept the two introduc tory chapters on conventional electron paramagnetic resonance (EPR) of the precedent book which are the base for the multiple resonance methods. The chapter on optical detection of EPR (ODEPR) was supplemented by sections on the structural information one can get from "forbidden" transitions as well as on spatial correlations between defects in the so-called "cross relaxation spectroscopy". High-field ODEPR/ENDOR was also added. The chapter on stationary electron nuclear double resonance (ENDOR) was supplemented by the method of stochastic END OR developed a few years ago in Paderborn which is now also commercially available.
Author: Johann-Martin Spaeth Publisher: Springer Science & Business Media ISBN: 9783540426950 Category : Technology & Engineering Languages : en Pages : 508
Book Description
The precedent book with the title "Structural Analysis of Point Defects in Solids: An introduction to multiple magnetic resonance spectroscopy" ap peared about 10 years ago. Since then a very active development has oc curred both with respect to the experimental methods and the theoretical interpretation of the experimental results. It would therefore not have been sufficient to simply publish a second edition of the precedent book with cor rections and a few additions. Furthermore the application of the multiple magnetic resonance methods has more and more shifted towards materials science and represents one of the important methods of materials analysis. Multiple magnetic resonances are used less now for "fundamental" studies in solid state physics. Therefore a more "pedestrian" access to the meth ods is called for to help the materials scientist to use them or to appreciate results obtained by using these methods. We have kept the two introduc tory chapters on conventional electron paramagnetic resonance (EPR) of the precedent book which are the base for the multiple resonance methods. The chapter on optical detection of EPR (ODEPR) was supplemented by sections on the structural information one can get from "forbidden" transitions as well as on spatial correlations between defects in the so-called "cross relaxation spectroscopy". High-field ODEPR/ENDOR was also added. The chapter on stationary electron nuclear double resonance (ENDOR) was supplemented by the method of stochastic END OR developed a few years ago in Paderborn which is now also commercially available.
Author: Audrius Alkauskas Publisher: John Wiley & Sons ISBN: 3527638539 Category : Science Languages : en Pages : 374
Book Description
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.
Author: Lawrence E. Murr Publisher: Springer ISBN: 9783319019055 Category : Technology & Engineering Languages : en Pages : 1500
Book Description
This extensive knowledge base provides a coherent description of advanced topics in materials science and engineering with an interdisciplinary/multidisciplinary approach. The book incorporates a historical account of critical developments and the evolution of materials fundamentals, providing an important perspective for materials innovations, including advances in processing, selection, characterization, and service life prediction. It includes the perspectives of materials chemistry, materials physics, engineering design, and biological materials as these relate to crystals, crystal defects, and natural and biological materials hierarchies, from the atomic and molecular to the macroscopic, and emphasizing natural and man-made composites. This expansive presentation of topics explores interrelationships among properties, processing, and synthesis (historic and contemporary). The book serves as both an authoritative reference and roadmap of advanced materials concepts for practitioners, graduate-level students, and faculty coming from a range of disciplines.
Author: M. Lannoo Publisher: Springer Science & Business Media ISBN: 364281574X Category : Science Languages : en Pages : 283
Book Description
From its early beginning before the war, the field of semiconductors has developped as a classical example where the standard approximations of 'band theory' can be safely used to study its interesting electronic properties. Thus in these covalent crystals, the electronic structure is only weakly coupled with the atomic vibrations; one-electron Bloch functions can be used and their energy bands can be accurately computed in the neighborhood of the energy gap between the valence and conduction bands; nand p doping can be obtained by introducing substitutional impurities which only introduce shallow donors and acceptors and can be studied by an effective-mass weak-scattering description. Yet, even at the beginning, it was known from luminescence studies that these simple concepts failed to describe the various 'deep levels' introduced near the middle of the energy gap by strong localized imperfections. These imperfections not only include some interstitial and many substitutional atoms, but also 'broken bonds' associated with surfaces and interfaces, dis location cores and 'vacancies', i.e., vacant iattice sites in the crystal. In all these cases, the electronic structure can be strongly correlated with the details of the atomic structure and the atomic motion. Because these 'deep levels' are strongly localised, electron-electron correlations can also playa significant role, and any weak perturbation treatment from the perfect crystal structure obviously fails. Thus, approximate 'strong coupling' techniques must often be used, in line' with a more chemical de scription of bonding.
Author: Todd R Allen Publisher: Elsevier ISBN: 0080560334 Category : Technology & Engineering Languages : en Pages : 3552
Book Description
Comprehensive Nuclear Materials, Five Volume Set discusses the major classes of materials suitable for usage in nuclear fission, fusion reactors and high power accelerators, and for diverse functions in fuels, cladding, moderator and control materials, structural, functional, and waste materials. The work addresses the full panorama of contemporary international research in nuclear materials, from Actinides to Zirconium alloys, from the worlds' leading scientists and engineers. Critically reviews the major classes and functions of materials, supporting the selection, assessment, validation and engineering of materials in extreme nuclear environment Fully integrated with F-elements.net, a proprietary database containing useful cross-referenced property data on the lanthanides and actinides Details contemporary developments in numerical simulation, modelling, experimentation, and computational analysis, for effective implementation in labs and plants
Author: Joel Davidsson Publisher: Linköping University Electronic Press ISBN: 9179297307 Category : Electronic books Languages : en Pages : 72
Book Description
Point defects in semiconductors have been and will continue to be relevant for applications. Shallow defects realize transistors, which power the modern age of information, and in the not-too-distant future, deep-level defects could provide the foundation for a revolution in quantum information processing. Deep-level defects (in particular color centers) are also of interest for other applications such as a single photon emitter, especially one that emits at 1550 nm, which is the optimal frequency for long-range communication via fiber optics. First-principle calculations can predict the energies and optical properties of point defects. I performed extensive convergence tests for magneto-optical properties, such as zero phonon lines, hyperfine coupling parameters, and zero-field splitting for the four different configurations of the divacancy in 4H-SiC. Comparing the converged results with experimental measurements, a clear identification of the different configurations was made. With this approach, I also identified all configurations for the silicon vacancy in 4H-SiC as well as the divacancy and silicon vacancy in 6H-SiC. The same method was further used to identify two additional configurations belonging to the divacancy present in a 3C stacking fault inclusion in 4H-SiC. I extended the calculated properties to include the transition dipole moment which provides the polarization, intensity, and lifetime of the zero phonon lines. When calculating the transition dipole moment, I show that it is crucial to include the self-consistent change of the electronic orbitals in the excited state due to the geometry relaxation. I tested the method on the divacancy in 4H-SiC, further strengthening the previous identification and providing accurate photoluminescence intensities and lifetimes. Finding stable point defects with the right properties for a given application is a challenging task. Due to the vast number of possible point defects present in bulk semiconductor materials, I designed and implemented a collection of automatic workflows to systematically investigate any point defects. This collection is called ADAQ (Automatic Defect Analysis and Qualification) and automates every step of the theoretical process, from creating defects to predicting their properties. Using ADAQ, I screened about 8000 intrinsic point defect clusters in 4H-SiC. This thesis presents an overview of the formation energy and the most relevant optical properties for these single and double point defects. These results show great promise for finding new color centers suitable for various quantum applications.
Author: C. Barry Carter Publisher: Springer Science & Business Media ISBN: 1461435234 Category : Technology & Engineering Languages : en Pages : 775
Book Description
Ceramic Materials: Science and Engineering is an up-to-date treatment of ceramic science, engineering, and applications in a single, comprehensive text. Building on a foundation of crystal structures, phase equilibria, defects, and the mechanical properties of ceramic materials, students are shown how these materials are processed for a wide diversity of applications in today's society. Concepts such as how and why ions move, how ceramics interact with light and magnetic fields, and how they respond to temperature changes are discussed in the context of their applications. References to the art and history of ceramics are included throughout the text, and a chapter is devoted to ceramics as gemstones. This course-tested text now includes expanded chapters on the role of ceramics in industry and their impact on the environment as well as a chapter devoted to applications of ceramic materials in clean energy technologies. Also new are expanded sets of text-specific homework problems and other resources for instructors. The revised and updated Second Edition is further enhanced with color illustrations throughout the text.
Author: P. Misaelides Publisher: Springer Science & Business Media ISBN: 9780792333241 Category : Science Languages : en Pages : 702
Book Description
The development of advanced materials with preselected properties is one of the main goals of materials research. Of especial interest are electronics, high-temperature and superhard materials for various applications, as well as alloys with improved wear, corrosion and mechanical resistance properties. The technical challenge connected with the production of these materials is not only associated with the development of new specialised preparation techniques but also with quality control. The energetic charged particle, electron and photon beams offer the possibility of modifying the properties of the near-surface regions of materials without seriously affecting their bulk, and provide unique analytical tools for testing their quality. Application of Particle and Laser Beams in Materials Technology provides an overview of this rapidly expanding field. Fundamental aspects concerning the interactions and collisions on atomic, nuclear and solid state scale are presented in a didactic way, along with the application of a variety of techniques for the solution of problems ranging from the development of electronics materials to corrosion research and from archaeometry to environmental protection. The book is divided into six thematic units: Fundamentals, Surface Analysis Techniques, Laser Beams in Materials Technology, Accelerator-Based Techniques in Materials Technology, Materials Modification and Synchrotron Radiation.
Author: Publisher: Academic Press ISBN: 0128019409 Category : Technology & Engineering Languages : en Pages : 458
Book Description
This volume, number 91 in the Semiconductor and Semimetals series, focuses on defects in semiconductors. Defects in semiconductors help to explain several phenomena, from diffusion to getter, and to draw theories on materials' behavior in response to electrical or mechanical fields. The volume includes chapters focusing specifically on electron and proton irradiation of silicon, point defects in zinc oxide and gallium nitride, ion implantation defects and shallow junctions in silicon and germanium, and much more. It will help support students and scientists in their experimental and theoretical paths. - Expert contributors - Reviews of the most important recent literature - Clear illustrations - A broad view, including examination of defects in different semiconductors
Author: Richard J. D. Tilley Publisher: John Wiley & Sons ISBN: 047038073X Category : Science Languages : en Pages : 549
Book Description
Provides a thorough understanding of the chemistry and physics of defects, enabling the reader to manipulate them in the engineering of materials. Reinforces theoretical concepts by placing emphasis on real world processes and applications. Includes two kinds of end-of-chapter problems: multiple choice (to test knowledge of terms and principles) and more extensive exercises and calculations (to build skills and understanding). Supplementary material on crystallography and band structure are included in separate appendices.
Author: Johann-Martin Spaeth
Author: Johann-Martin Spaeth
Author: Audrius Alkauskas
Author: Lawrence E. Murr
Author: M. Lannoo
Author: Todd R Allen
Author: Joel Davidsson
Author: C. Barry Carter
Author: P. Misaelides
Author: 
Author: Richard J. D. Tilley