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Author: Samir Abdelouahed
Publisher:
ISBN:
Category :
Languages : fr
Pages : 122
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Book Description
Les électrons 4f fortement localisés jouent un rôle prépondérant dans l’interprétation de la structure électronique et le magnétisme fort des terres rares. Notre étude théorique de la structure électronique montre une adéquation de la méthode dite LDA+U pour la description des différentes propriétés de ces matériaux. Le calcul des spectres de dichroïsme circulaire magnétique de rayons X, que nous avons implémenté dans le code FLEUR, s'est révélé pertinent et utile pour la caractérisation magnétique de ces matériaux. L'étude de l'anisotropie magnétique, effectuée en utilisant le théorème de force, a montré l'importance des électrons 4f malgré leur faible couplage spin-orbite.
Author: Samir Abdelouahed
Publisher:
ISBN:
Category :
Languages : fr
Pages : 122
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Book Description
Les électrons 4f fortement localisés jouent un rôle prépondérant dans l’interprétation de la structure électronique et le magnétisme fort des terres rares. Notre étude théorique de la structure électronique montre une adéquation de la méthode dite LDA+U pour la description des différentes propriétés de ces matériaux. Le calcul des spectres de dichroïsme circulaire magnétique de rayons X, que nous avons implémenté dans le code FLEUR, s'est révélé pertinent et utile pour la caractérisation magnétique de ces matériaux. L'étude de l'anisotropie magnétique, effectuée en utilisant le théorème de force, a montré l'importance des électrons 4f malgré leur faible couplage spin-orbite.
Author: Ying Li
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Author: Safa Kasap
Publisher: Springer
ISBN: 331948933X
Category : Technology & Engineering
Languages : en
Pages : 1536
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Book Description
The second, updated edition of this essential reference book provides a wealth of detail on a wide range of electronic and photonic materials, starting from fundamentals and building up to advanced topics and applications. Its extensive coverage, with clear illustrations and applications, carefully selected chapter sequencing and logical flow, makes it very different from other electronic materials handbooks. It has been written by professionals in the field and instructors who teach the subject at a university or in corporate laboratories. The Springer Handbook of Electronic and Photonic Materials, second edition, includes practical applications used as examples, details of experimental techniques, useful tables that summarize equations, and, most importantly, properties of various materials, as well as an extensive glossary. Along with significant updates to the content and the references, the second edition includes a number of new chapters such as those covering novel materials and selected applications. This handbook is a valuable resource for graduate students, researchers and practicing professionals working in the area of electronic, optoelectronic and photonic materials.
Author: Sidney Yip
Publisher: Springer Science & Business Media
ISBN: 1402032862
Category : Science
Languages : en
Pages : 2903
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Book Description
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Author:
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ISBN:
Category : Metallurgy
Languages : en
Pages : 1076
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Book Description
Author: David J. Singh
Publisher: Springer Science & Business Media
ISBN: 1475723121
Category : Technology & Engineering
Languages : en
Pages : 121
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Book Description
Over the past decade the world's technological and industrial base has become increasingly dependent on advanced materials. There is every indication that this trend will accelerate and that progress in many areas will increasingly depend on the development of new materials and processing techniques. A second and equally significant trend is the continuing ascent of the information technologies, which now touch almost every aspect of life in some way. In this environment it is natural that there is a strong interest in using numerical modeling in materials science. With its extreme accuracy and reasonable computational efficiency, the linearized augmented plane wave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. Planewaves, Pseudopotentials and the LAPW Method presents a thorough and self-contained exposition of the LAPW method, making this powerful technique more accessible to researchers and students who have some familiarity with local density approximation calculations. Theory is discussed, but the emphasis is on how practical implementation proceeds. In addition, the author suggests future directions for adapting the LAPW method to simulations of complex materials requiring large unit cells. He does this by elucidating the connections between the LAPW method and planewave pseudopotential approaches and by showing how Car--Parrinello type algorithms can be adapted to the LAPW method. Planewaves, Pseudopotentials and the LAPW Method is a valuable resource for researchers already involved in electronic structure calculations, as well as for newcomers seeking quick mastery of the LAPW technique.
Author:
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ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 882
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Book Description
Author: Lawrence Lim
Publisher: Trans Tech Publications Ltd
ISBN: 3038139092
Category : Technology & Engineering
Languages : en
Pages : 2260
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Book Description
These proceedings of the International Conference on Advances in Mechanics Engineering (ICAME 2012), held on the 3rd to 5th August 2012 in Hong Kong, comprise peer-reviewed papers grouped into: Materials Science and Technology; Applied Mechanics, Mechanical Engineering and Fuel; Electrotechnics, Electrical Machines and Electric Power Systems; Power Engineering; Instrumentation and Sensors; Electronic, Radio Engineering and Acoustics; Detection, Monitoring and Measurement; Computer-Aided Design and Simulation; Control, Automation and Diagnostics; Manufacturing Processes and Technologies; Hydro- and Aerodynamic Engineering; Heat Transfer, Thermal Analysis and Thermodynamics; Geotechnical Engineering and Vibration; Miscellaneous Researches for Technical Sciences.
Author:
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ISBN:
Category : Nuclear energy
Languages : en
Pages : 1090
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Book Description
Author: Jürgen Kübler
Publisher: Oxford University Press
ISBN: 0191565423
Category : Science
Languages : en
Pages : 494
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Book Description
This book, in the broadest sense, is an application of quantum mechanics and statistical mechanics to the field of magnetism. Under certain well described circumstances, an immensely large number of electrons moving in the solid state of matter will collectively produce permanent magnetism. Permanent magnets are of fundamental interest, and magnetic materials are also of great practical importance as they provide a large field of technological applications. The physical details describing the many electron problem of magnetism are presented in this book on the basis of the local density functional approximation. The emphasis is on realistic magnets, for which the equations describing the many electron problem can only be solved by using computers. The great, recent and continuing improvements of computers are, to a large extent, responsible for the progress in the field. Along with a detailed introduction to the density functional theory, this book presents representative computational methods and provides the reader with a complete computer programme for the determination of the electronic structure of a magnet on a PC. A large part of the book is devoted to a detailed treatment of the connections between electronic properties and magnetism, and how they differ in the various known magnetic systems. Current trends are exposed and explained for a large class of alloys and compounds. The modern field of artificially layered systems - known as multilayers - and their industrial applications are dealt with in detail. Finally, an attempt is made to relate the rich thermodynamic properties of magnets to the ab initio results originating from the electronic structure.
