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Author : Ilja Turek,Václav Drchal,Josef Kudrnovsky
Publisher : Unknown
Page : 336 pages
File Size : 45,5 Mb
Release : 2014-09-01
Category : Electronic
ISBN : 1461562562
Author : Ilja Turek,Václav Drchal,Josef Kudrnovský,Mojmír Sob,Peter Weinberger
Publisher : Springer Science & Business Media
Page : 327 pages
File Size : 49,6 Mb
Release : 2013-11-27
Category : Science
ISBN : 9781461562559
At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use because they require an excessive number of atoms per elementary cell, and are not able to account fully for e.g. substitu tional disorder and the true semiinfinite geometry of surfaces. Such problems can be solved more appropriately by Green function techniques and multiple scattering formalism.
Author : Ole Krogh Andersen,V Kumar,Abhijit Mookerjee
Publisher : World Scientific
Page : 396 pages
File Size : 43,5 Mb
Release : 1995-02-23
Category : Science
ISBN : 9789814583275
Developments in the density functional theory and the methods of electronic structure calculations have made it possible to carry out ab-initio studies of a variety of materials efficiently and at a predictable level. This book covers many of those state-of-the-art developments and their applications to ordered and disordered materials, surfaces and interfaces and clusters, etc.
Author : Abhijit Mookerjee,D.D. Sarma
Publisher : CRC Press
Page : 396 pages
File Size : 52,5 Mb
Release : 2002-11-28
Category : Technology & Engineering
ISBN : 0415272491
Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.
Author : Vijay Kumar,O. K. Andersen
Publisher : World Scientific Publishing Company Incorporated
Page : 386 pages
File Size : 52,7 Mb
Release : 1994
Category : Science
ISBN : 9810214855
Author : Friedhelm Bechstedt,Rolf Enderlein
Publisher : Unknown
Page : 484 pages
File Size : 47,7 Mb
Release : 1988
Category : Semiconductors
ISBN : UCSD:31822003266715
Author : Hugues Dreysse
Publisher : Springer
Page : 460 pages
File Size : 55,6 Mb
Release : 2008-01-11
Category : Science
ISBN : 9783540464372
A very comprehensive book, enabling the reader to understand the basic formalisms used in electronic structure determination and particularly the "Muffin Tin Orbitals" methods. The latest developments are presented, providing a very detailed description of the "Full Potential" schemes. This book will provide a real state of the art, since almost all of the contributions on formalism have not been, and will not be, published elsewhere. This book will become a standard reference volume. Moreover, applications in very active fields of today's research on magnetism are presented. A wide spectrum of such questions is covered by this book. For instance, the paper on interlayer exchange coupling should become a "classic", since there has been fantastic experimental activity for 10 years and this can be considered to be the "final" theoretical answer to this question. This work has never been presented in such a complete form.
Author : Werner Schweika
Publisher : Springer Science & Business Media
Page : 144 pages
File Size : 41,7 Mb
Release : 1998
Category : Science
ISBN : 3540634452
This monograph reviews the subject of structural disorder in alloys and describes how structural information can be exploited to build sound theoretical descriptions in terms of modified Ising models. Scattering with thermal neutrons and x-rays prove to be complementary approaches to measure the weak diffuse scattering which provides detailed information about the disorder. The authors show how Monte Carlo methods are applied to determine the most realistic effective interactions among the alloying atoms. These results can be used as a benchmark for modern electronic structure calculations. Of more general interest, the limitations of scattering experiments in a determination of an interaction model, and thus also of the structure itself are discussed. Finally, simulations exhibit not only near-surface disordering due to frustration effects but also new possible surface - induced ordering phenomena. Accurate Monte Carlo simulations are used to test existing theories of wetting.
Author : Annemarie Meike
Publisher : Springer Science & Business Media
Page : 548 pages
File Size : 47,5 Mb
Release : 2000
Category : Mathematics
ISBN : 0306464985
The triennial International Alloy Conferences (IACs) aim at the identification and promotion of the common elements developed in the study, either experimental, phenomenological, or theoretical and computational, of materials properties across materials types, from metals to minerals. To accomplish this goal, the IACs bring together scientists from a wide spectrum of materials science including experiment, theory, modeling, and computation, incorporating a broad range of materials properties. The first IAC, IAC-1, took place in Athens, Greece, June 16-21, 1996. The present volume of proceedings contains the papers presented at IAC-2, that took place in Davos, Switzerland, August 8-13, 1999. The topics in this book fall into several themes, which suggest a number of different classification schemes. We have chosen a scheme that classifies the papers in the volume into the categories Microstructural Properties; Ordering, Kinetics and Diffusion; Magnetic Properties and Elastic Properties. We have juxtaposed apparently disparate approaches to similar physical processes, in the hope of revealing the dynamic character of the processes under consideration. We hope this will invigorate new kinds of discussion and reveal challenges and new avenues to the description and prediction of properties of materials in the solid state and the conditions that produce them.
Author : Didier Sébilleau,Keisuke Hatada,Hubert Ebert
Publisher : Springer
Page : 401 pages
File Size : 43,9 Mb
Release : 2018-04-05
Category : Science
ISBN : 9783319738116
This edited book, based on material presented at the EU Spec Training School on Multiple Scattering Codes and the following MSNano Conference, is divided into two distinct parts. The first part, subtitled “basic knowledge”, provides the basics of the multiple scattering description in spectroscopies, enabling readers to understand the physics behind the various multiple scattering codes available for modelling spectroscopies. The second part, “extended knowledge”, presents “state- of-the-art” short chapters on specific subjects associated with improving of the actual description of spectroscopies within the multiple scattering formalism, such as inelastic processes, or precise examples of modelling.
Author : Mojmír Šob
Publisher : MDPI
Page : 198 pages
File Size : 50,6 Mb
Release : 2021-04-01
Category : Science
ISBN : 9783036501345
This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field
Author : L.U Ancarani
Publisher : CRC Press
Page : 892 pages
File Size : 50,9 Mb
Release : 2003-05-01
Category : Science
ISBN : 9781482289572
Electron and Photon Impact Ionisation and Related Topics 2002 provides an overview of recent international research in the field of ionization by electron and photon impact. Emphasizing multi-particle coincidence studies, such as (e,2e), (e,3e), ionization-excitation, and double photo-ionization, the book contains 18 contributions of recent experim
Author : Leszek Malkinski
Publisher : BoD – Books on Demand
Page : 246 pages
File Size : 44,8 Mb
Release : 2012-05-24
Category : Science
ISBN : 9789535106371
This book reports on recent progress in emerging technologies, modern characterization methods, theory and applications of advanced magnetic materials. It covers broad spectrum of topics: technology and characterization of rapidly quenched nanowires for information technology; fabrication and properties of hexagonal ferrite films for microwave communication; surface reconstruction of magnetite for spintronics; synthesis of multiferroic composites for novel biomedical applications, optimization of electroplated inductors for microelectronic devices; theory of magnetism of Fe-Al alloys; and two advanced analytical approaches for modeling of magnetic materials using Everett integral and the inverse problem approach. This book is addressed to a diverse group of readers with general background in physics or materials science, but it can also benefit specialists in the field of magnetic materials.
Author : Sadamichi Maekawa,Sergio O. Valenzuela,Takashi Kimura,Eiji Saitoh
Publisher : Oxford University Press
Page : 541 pages
File Size : 53,9 Mb
Release : 2017
Category : Science
ISBN : 9780198787075
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.
Author : Jan Zabloudil,Robert Hammerling,Lászlo Szunyogh,Peter Weinberger
Publisher : Springer Science & Business Media
Page : 386 pages
File Size : 55,8 Mb
Release : 2005-12-12
Category : Science
ISBN : 9783540270010
Addressing graduate students and researchers, this book gives a very detailed theoretical and computational description of multiple scattering in solid matter. Particular emphasis is placed on solids with reduced dimensions, on full potential approaches and on relativistic treatments. For the first time approaches such as the screened Korringa-Kohn-Rostoker method are reviewed, considering all formal steps such as single-site scattering, structure constants and screening transformations, and also the numerical point of view. Furthermore, a very general approach is presented for solving the Poisson equation, needed within density functional theory in order to achieve self-consistency. Special chapters are devoted to the Coherent Potential Approximation and to the Embedded Cluster Method, used, for example, for describing nanostructured matter in real space. In a final chapter, physical properties related to the (single-particle) Green's function, such as magnetic anisotropies, interlayer exchange coupling, electric and magneto-optical transport and spin-waves, serve to illustrate the usefulness of the methods described.