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First-principles calculations in real-space formalism : electronic configurations and transport properties of nanostructures /

With cutting-edge materials and minute electronic devices being produced by the latest nanoscale fabrication technology, it is essential for scientists and engineers to rely on first-principles (ab initio) calculation methods to fully understand the electronic configurations and transport properties...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Hirose, Kikuji
Formato: Electrónico eBook
Idioma:Inglés
Publicado: London : Imperial College Press, ©2005.
Temas:
Acceso en línea:Texto completo

MARC

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245 1 0 |a First-principles calculations in real-space formalism :  |b electronic configurations and transport properties of nanostructures /  |c Kikuji Hirose [and others]. 
260 |a London :  |b Imperial College Press,  |c ©2005. 
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504 |a Includes bibliographical references (pages 231-248) and index. 
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505 0 |a Foundations of methodology -- Solvers of the Poisson equation and related techniques -- Minimization procedures of the energy functional -- Timesaving double-grid technique -- Implementation for systems under various boundary conditions -- Basic scheme of the overbridging boundary-matching method -- Inclusion of norm-conserving pseudopotentials -- Jellium electrode approximation -- Green's function formalism and the overbridging boundary-matching scheme -- Calculation method based on the Lippmann-Schwinger equation. 
520 |a With cutting-edge materials and minute electronic devices being produced by the latest nanoscale fabrication technology, it is essential for scientists and engineers to rely on first-principles (ab initio) calculation methods to fully understand the electronic configurations and transport properties of nanostructures. It is now imperative to introduce practical and tractable calculation methods that accurately describe the physics in nanostructures suspended between electrodes. This timely volume addresses novel methods for calculating electronic transport properties using real-space fo. 
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