Atomic-scale modeling of nanosystems and nanostructured materials / Carlo Massobrio, Herve Bulou, Christine Goyhenex (eds.).

Format:

Book

Contributor:

Mossobrio, Carlo.

Bulou, H. (Hervé)

Gohenex, Christine.

Series:

Lecture notes in physics ; 795.

Lecture notes in physics ; 795

Language:

English

Subjects (All):

Nanotechnology.

Nanostructured materials.

Physical Description:

1 online resource (X, 371 p. 100 illus.)

Edition:

1st ed. 2010.

Place of Publication:

Heidelberg ; New York : Springer, 2010.

Language Note:

English

Summary:

The book covers a variety of applications of modern atomic-scale modeling of materials in the area of nanoscience and nanostructured systems. By highlighting the most recent achievements obtained within a single institute, at the forefront of material science studies, the authors are able to provide a thorough description of properties at the nanoscale. The areas covered are structural determination, electronic excitation behaviors, clusters on surface morphology, spintronics and disordered materials. For each application, the basics of methodology are provided, allowing for a sound presentation of approaches such as density functional theory (of ground and excited states), electronic transport and molecular dynamics in its classical and first-principles forms. The book is a timely collection of theoretical nanoscience contributions fully in line with current experimental advances.

Contents:

Collective Electron Dynamics in Metallic and Semiconductor Nanostructures

Weak Chemical Interaction and van der Waals Forces: A Combined Density Functional and Intermolecular Perturbation Theory #x2013; Application to Graphite and Graphitic Systems

Reactive Simulations for Biochemical Processes

Molecular Dynamics Simulations of Liquid-Crystalline Dendritic Architectures

Surface Diffusion on Inhomogeneous Surfaces

Electronic, Magnetic and Spectroscopic Properties of Vanadium, Chromium and Manganese Nanostructures

Electronic Structure and Magnetism of Double Perovskite Systems

Effect of Spin-Orbit Coupling on the Magnetic Properties of Materials: Theory

Effect of Spin-Orbit Coupling on the Magnetic Properties of Materials: Results

Nanostructural Units in Disordered Network-Forming Materials and the Origin of Intermediate Range Order.

Notes:

Bibliographic Level Mode of Issuance: Monograph

ISBN:

9786613510747

9781283510745

128351074X

9783642046506

3642046509