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Titlebook: Electronic Structure of Disordered Alloys, Surfaces and Interfaces; Ilja Turek,Václav Drchal,Peter Weinberger Book 1997 Springer Science+B

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书目名称Electronic Structure of Disordered Alloys, Surfaces and Interfaces
编辑Ilja Turek,Václav Drchal,Peter Weinberger
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图书封面Titlebook: Electronic Structure of Disordered Alloys, Surfaces and Interfaces;  Ilja Turek,Václav Drchal,Peter Weinberger Book 1997 Springer Science+B
描述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 su
出版日期Book 1997
关键词alloy; complex system; corrosion; crystal; electronic structure; geometry; material; materials science; meta
版次1
doihttps://doi.org/10.1007/978-1-4615-6255-9
isbn_softcover978-1-4613-7870-9
isbn_ebook978-1-4615-6255-9
copyrightSpringer Science+Business Media New York 1997
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Ingo Scheidweiler,Matias Musmachermation. On the basis of this Green function formalism, methods for an efficient treatment of systems with two-dimensional translational symmetry are described: the tight-binding linear muffin-tin orbital method, a technique of principal layers and surface Green functions, and concepts in order to calculate important physical observables.
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Rolle der Bundesarbeitsgemeinschaften,tentials, and total energies are derived within the atomic sphere approximation. Special attention is devoted to systems with only two-dimensional translational symmetry due to surfaces and interfaces as well as to systems with substitutional randomness.
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ERGEBNISSE DER EMPIRISCHEN UNTERSUCHUNG,haracteristics (like densities of states and photoemission spectra) of such systems. Their interplay with the spin polarization affects the magnetic structure, values of magnetic moments, and leads to a number of important effects such as magnetic anisotropies or magneto-optical phenomena.
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Systemtheoretische Innovationsanalyse,stems with substitutional disorder and/or interfaces (surfaces). In the following, mainly magnetic ground-state properties like local magnetic moments, spin-polarized densities of states, hyperfine magnetic fields, and total energies will be discussed.
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Introduction,ortant aim of the condensed matter theory is thus calculating the electronic structure (ES) of solids. The theory of ES is not only helpful in understanding and interpreting experiments, but it also becomes a predictive tool of the physics and chemistry of condensed matter and materials science
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Green Function Method,mation. On the basis of this Green function formalism, methods for an efficient treatment of systems with two-dimensional translational symmetry are described: the tight-binding linear muffin-tin orbital method, a technique of principal layers and surface Green functions, and concepts in order to calculate important physical observables.
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