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.
Download or read book Defects and Disorder in Crystalline and Amorphous Solids written by Richard Catlow and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 511 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of defects and disorder in solids remains a central topic in solid state science. Developments in the field continue to be promoted by new experimental and theoretical techniques, while further impetus for the study of disorder in solids is provided by the growing range of applications of solid state materials in which disorder at the atomic level plays a crucial rOle. In this book we attempt to present a survey of fundamental and applied aspects of the field. We consider the basic aspects of defective crystalline and amorphous solids. We discuss recent studies of structural, electronic, transport, thermodynamic and spectroscopic properties of such materials. Experimental and theoretical methodologies are reviewed, and detailed consideration is given to materials such as fast ion conductors and amorphous semiconductors that are of importance in an applied context. Any survey of this large field is necessarily selective. We have chosen to emphasise insulating (especially oxidic) and semi-conducting materials. But many of the approaches and techniques we describe apply generally across the entire field of solid state science. This volume is based on a NATO ASI held at the Residencia Santa Teresa de Jesus, Madrid in September 1991. The Editor is grateful to the NATO Scientific Affairs Division for their sponsorship of this School. Thanks are also due to all who participated in and lectured at the school, but especially to the organising committee of A. V. Chadwick, G. N. Greaves, M. Grigorkiewicz, J. H. Harding and S. Kalbitzer. C. R. A.
Download or read book American Doctoral Dissertations written by and published by . This book was released on 1985 with total page 696 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration. Technical Information Center and published by . This book was released on 1976 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2003 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Research in Progress written by and published by . This book was released on 1978 with total page 834 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Anthropology written by Stanley R. Barrett and published by . This book was released on 1996 with total page 764 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second phase centred around the 1960s, as new theories sprang up and methods were refined in order to cope with doubts that a scientific study of culture had been established, and with the recognition that change and conflict were as prevalent as stability and harmony. The third phase began in the 1970s and continues today, dominated by postmodernism and feminist anthropology. One of my central arguments will be that beginning in phase two, and growing rapidly during phase three, a gap has emerged between our theories and our methods. For most of the history of anthropology, our methods have talked the language of science.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory of Defects in Semiconductors written by David A. Drabold and published by Springer Science & Business Media. This book was released on 2007 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: Semiconductor science and technology is the art of defect engineering. The theoretical modeling of defects has improved dramatically over the past decade. These tools are now applied to a wide range of materials issues: quantum dots, buckyballs, spintronics, interfaces, amorphous systems, and many others. This volume presents a coherent and detailed description of the field, and brings together leaders in theoretical research. Today's state-of-the-art, as well as tomorrow’s tools, are discussed: the supercell-pseudopotential method, the GW formalism,Quantum Monte Carlo, learn-on-the-fly molecular dynamics, finite-temperature treatments, etc. A wealth of applications are included, from point defects to wafer bonding or the propagation of dislocation.
Download or read book Comprehensive Dissertation Index written by and published by . This book was released on 1989 with total page 1016 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solid State Physics written by and published by Academic Press. This book was released on 1974-02-08 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics
Download or read book Defects in Solids written by Richard J. D. Tilley and published by John Wiley & Sons. This book was released on 2008-10-10 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Air Force Research Resum s written by and published by . This book was released on with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solid State Theory written by Ulrich Rössler and published by Springer Science & Business Media. This book was released on 2009-08-29 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Solid-State Theory - An Introduction" is a textbook for graduate students of physics and material sciences. Whilst covering the traditional topics of older textbooks, it also takes up new developments in theoretical concepts and materials that are connected with such breakthroughs as the quantum-Hall effects, the high-Tc superconductors, and the low-dimensional systems realized in solids. Thus besides providing the fundamental concepts to describe the physics of the electrons and ions comprising the solid, including their interactions, the book casts a bridge to the experimental facts and gives the reader an excellent insight into current research fields. A compilation of problems makes the book especially valuable to both students and teachers.
Download or read book Grants and Awards for the Fiscal Year Ended written by National Science Foundation (U.S.) and published by . This book was released on 1981 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Canadian Journal of Physics written by and published by . This book was released on 1991 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
