Conceptual Foundations of Materials

Conceptual Foundations of Materials
Author:
Publisher: Elsevier
Total Pages: 245
Release: 2006-09-20
Genre: Science
ISBN: 0080464572

The goal of this Volume "Conceptual Foundations of Materials: A standard model for ground- and excited-state properties" is to present the fundamentals of electronic structure theory that are central to the understanding and prediction of materials phenomena and properties. The emphasis is on foundations and concepts. The Sections are designed to offer a broad and comprehensive perspective of the field. They cover the basic aspects of modern electronic structure approaches and highlight their applications to the structural (ground state, vibrational, dynamic and thermodynamic, etc.) and electronic (spectroscopic, dielectric, magnetic, transport, etc.) properties of real materials including solids, clusters, liquids, and nanostructure materials. This framework also forms a basis for studies of emergent properties arising from low-energy electron correlations and interactions such as the quantum Hall effects, superconductivity, and other cooperative phenomena. Although some of the basics and models for solids were developed in the early part of the last century by figures such as Bloch, Pauli, Fermi, and Slater, the field of electronic structure theory went through a phenomenal growth during the past two decades, leading to new concepts, understandings, and predictive capabilities for determining the ground- and excited-state properties of real, complex materials from first principles. For example, theory can now be used to predict the existence and properties of materials not previously realized in nature or in the laboratory. Computer experiments can be performed to examine the behavior of individual atoms in a particular process, to analyze the importance of different mechanisms, or just to see what happen if one varies the interactions and parameters in the simulation. Also, with ab initio calculations, one can determine from first principles important interaction parameters which are needed in model studies of complex processes or highly correlated systems. Each time a new material or a novel form of a material is discovered, electronic structure theory inevitably plays a fundamental role in unraveling its properties. - Provides the foundations of the field of condensed matter physics - An excellent supplementary text for classes on condensed matter physics/solid state physics - Volume covers current work at the forefront - Presentations are accessible to nonspecialists, with focus on underlying fundamentals

Ab Initio Molecular Dynamics

Ab Initio Molecular Dynamics
Author: Dominik Marx
Publisher: Cambridge University Press
Total Pages: 503
Release: 2009-04-30
Genre: Science
ISBN: 1139477196

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.

Predictive Simulation of Semiconductor Processing

Predictive Simulation of Semiconductor Processing
Author: Jarek Dabrowski
Publisher: Springer Science & Business Media
Total Pages: 505
Release: 2013-03-09
Genre: Technology & Engineering
ISBN: 3662094320

Predictive Simulation of Semiconductor Processing enables researchers and developers to extend the scaling range of semiconductor devices beyond the parameter range of empirical research. It requires a thorough understanding of the basic mechanisms employed in device fabrication, such as diffusion, ion implantation, epitaxy, defect formation and annealing, and contamination. This book presents an in-depth discussion of our current understanding of key processes and identifies areas that require further work in order to achieve the goal of a comprehensive, predictive process simulation tool.

Amorphous Chalcogenide Semiconductors and Related Materials

Amorphous Chalcogenide Semiconductors and Related Materials
Author: Keiji Tanaka
Publisher: Springer Nature
Total Pages: 300
Release: 2021-07-01
Genre: Technology & Engineering
ISBN: 3030695980

This book provides introductory, comprehensive, and concise descriptions of amorphous chalcogenide semiconductors and related materials. It includes comparative portraits of the chalcogenide and related materials including amorphous hydrogenated Si, oxide and halide glasses, and organic polymers. It also describes effects of non-equilibrium disorder, in comparison with those in crystalline semiconductors.

Liquid Polymorphism, Volume 152

Liquid Polymorphism, Volume 152
Author: H. Eugene Stanley
Publisher: John Wiley & Sons
Total Pages: 544
Release: 2013-04-22
Genre: Science
ISBN: 1118540379

The Advances in Chemical Physics series the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Electron Spin Resonance Studies of Supercooled Water Water-like Anomalies of Core-Softened Fluids: Dependence on the Trajectories in (P, ρ, T) Space Water Proton Environment: A New Water Anomaly at Atomic Scale? Polymorphism and Anomalous Melting in Isotropic Fluids Computer Simulations of Liquid Silica: Water-Like Thermodynamic and Dynamic Anomalies, and the Evidence for Polyamorphism

Molecular Dynamics Simulation

Molecular Dynamics Simulation
Author: Giovanni Ciccotti
Publisher: MDPI
Total Pages: 627
Release: 2018-10-08
Genre: Science
ISBN: 3906980650

Printed Edition of the Special Issue Published in Entropy

Semiconductor Physics

Semiconductor Physics
Author: Karl W. Böer
Publisher: Springer Nature
Total Pages: 1408
Release: 2023-02-02
Genre: Technology & Engineering
ISBN: 3031182863

This handbook gives a complete and detailed survey of the field of semiconductor physics. It addresses every fundamental principle, the most important research topics and results, as well as conventional and emerging new areas of application. Additionally it provides all essential reference material on crystalline bulk, low-dimensional, and amorphous semiconductors, including valuable data on their optical, transport, and dynamic properties. This updated and extended second edition includes essential coverage of rapidly advancing areas in semiconductor physics, such as topological insulators, quantum optics, magnetic nanostructures and spintronic systems. Richly illustrated and authored by a duo of internationally acclaimed experts in solar energy and semiconductor physics, this handbook delivers in-depth treatment of the field, reflecting a combined experience spanning several decades as both researchers and educators. Offering a unique perspective on many issues, Semiconductor Physics is an invaluable reference for physicists, materials scientists and engineers throughout academia and industry.