Electronic Structure Methods for Complex Materials

Electronic Structure Methods for Complex Materials PDF Author: Wai-Yim Ching
Publisher: OUP Oxford
ISBN: 0191635065
Category : Science
Languages : en
Pages : 328

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Book Description
Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

Electronic Structure Methods for Complex Materials

Electronic Structure Methods for Complex Materials PDF Author: Wai-Yim Ching
Publisher: OUP Oxford
ISBN: 0191635065
Category : Science
Languages : en
Pages : 328

Get Book Here

Book Description
Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

Introduction to Thermoelectricity

Introduction to Thermoelectricity PDF Author: H. Julian Goldsmid
Publisher: Springer Science & Business Media
ISBN: 3642007163
Category : Science
Languages : en
Pages : 250

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Book Description
Introduction to Thermoelectricity is the latest work by Professor Julian Goldsmid drawing on his 55 years experience in the field. The theory of the thermoelectric and related phenomena is presented in sufficient detail to enable researchers to understand their observations and develop improved thermoelectric materials. The methods for the selection of materials and their improvement are discussed. Thermoelectric materials for use in refrigeration and electrical generation are reviewed. Experimental techniques for the measurement of properties and for the production of thermoelements are described. Special emphasis is placed on nanotechnology which promises to yield great improvements in the efficiency of thermoelectric devices. Chapters are also devoted to transverse thermoelectric effects and thermionic energy conversion, both techniques offering the promise of important applications in the future.

Electronic Structure and Optical Properties of Semiconductors

Electronic Structure and Optical Properties of Semiconductors PDF Author: Marvin L. Cohen
Publisher: Springer Science & Business Media
ISBN: 3642613381
Category : Science
Languages : en
Pages : 272

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Book Description


Topological Insulators

Topological Insulators PDF Author: Shun-Qing Shen
Publisher: Springer Science & Business Media
ISBN: 364232858X
Category : Technology & Engineering
Languages : en
Pages : 234

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Book Description
Topological insulators are insulating in the bulk, but process metallic states present around its boundary owing to the topological origin of the band structure. The metallic edge or surface states are immune to weak disorder or impurities, and robust against the deformation of the system geometry. This book, the first of its kind on topological insulators, presents a unified description of topological insulators from one to three dimensions based on the modified Dirac equation. A series of solutions of the bound states near the boundary are derived, and the existing conditions of these solutions are described. Topological invariants and their applications to a variety of systems from one-dimensional polyacetalene, to two-dimensional quantum spin Hall effect and p-wave superconductors, and three-dimensional topological insulators and superconductors or superfluids are introduced, helping readers to better understand this fascinating new field. This book is intended for researchers and graduate students working in the field of topological insulators and related areas. Shun-Qing Shen is a Professor at the Department of Physics, the University of Hong Kong, China.

Applications of Chalcogenides: S, Se, and Te

Applications of Chalcogenides: S, Se, and Te PDF Author: Gurinder Kaur Ahluwalia
Publisher: Springer
ISBN: 9783319822891
Category : Technology & Engineering
Languages : en
Pages : 0

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Book Description
This book introduces readers to a wide range of applications for elements in Group 16 of the periodic table, such as, optical fibers for communication and sensing, X-ray imaging, electrochemical sensors, data storage devices, biomedical applications, photovoltaics and IR detectors, the rationale for these uses, the future scope of their applications, and expected improvements to existing technologies. Following an introductory section, the book is broadly divided into three parts—dealing with Sulfur, Selenium, and Tellurium. The sections cover the basic structure of the elements and their compounds in bulk and nanostructured forms; properties that make these useful for various applications, followed by applications and commercial products. As the global technology revolution necessitates the search for new materials and more efficient devices in the electronics and semiconductor industry, Applications of Chalcogenides: S, Se, and Te is an ideal book for a wide range of readers in industry, government and academic research facilities looking beyond silicon for materials used in the electronic and optoelectronic industry as well as biomedical applications.

Two-Dimensional Transition-Metal Dichalcogenides

Two-Dimensional Transition-Metal Dichalcogenides PDF Author: Alexander V. Kolobov
Publisher: Springer
ISBN: 3319314505
Category : Technology & Engineering
Languages : en
Pages : 545

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Book Description
This book summarizes the current status of theoretical and experimental progress in 2 dimensional graphene-like monolayers and few-layers of transition metal dichalcogenides (TMDCs). Semiconducting monolayer TMDCs, due to the presence of a direct gap, significantly extend the potential of low-dimensional nanomaterials for applications in nanoelectronics and nano-optoelectronics as well as flexible nano-electronics with unprecedented possibilities to control the gap by external stimuli. Strong quantum confinement results in extremely high exciton binding energies which forms an interesting platform for both fundamental studies and device applications. Breaking of spatial inversion symmetry in monolayers results in strong spin-valley coupling potentially leading to their use in valleytronics. Starting with the basic chemistry of transition metals, the reader is introduced to the rich field of transition metal dichalcogenides. After a chapter on three dimensional crystals and a description of top-down and bottom-up fabrication methods of few-layer and single layer structures, the fascinating world of two-dimensional TMDCs structures is presented with their unique atomic, electronic, and magnetic properties. The book covers in detail particular features associated with decreased dimensionality such as stability and phase-transitions in monolayers, the appearance of a direct gap, large binding energy of 2D excitons and trions and their dynamics, Raman scattering associated with decreased dimensionality, extraordinarily strong light-matter interaction, layer-dependent photoluminescence properties, new physics associated with the destruction of the spatial inversion symmetry of the bulk phase, spin-orbit and spin-valley couplings. The book concludes with chapters on engineered heterostructures and device applications such as a monolayer MoS2 transistor. Considering the explosive interest in physics and applications of two-dimensional materials, this book is a valuable source of information for material scientists and engineers working in the field as well as for the graduate students majoring in materials science.

Structure and Bonding in Crystalline Materials

Structure and Bonding in Crystalline Materials PDF Author: Gregory S. Rohrer
Publisher: Cambridge University Press
ISBN: 9780521663793
Category : Science
Languages : en
Pages : 554

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Book Description
One of the motivating questions in materials research today is, how can elements be combined to produce a solid with specified properties? This book is intended to acquaint the reader with established principles of crystallography and cohesive forces that are needed to address the fundamental relationship between the composition, structure and bonding. Starting with an introduction to periodic trends, the book discusses crystal structures and the various primary and secondary bonding types, and finishes by describing a number of models for predicting phase stability and structure. Containing a large number of worked examples, exercises, and detailed descriptions of numerous crystal structures, this book is primarily intended as an advanced undergraduate or graduate level textbook for students of materials science. It will also be useful to scientists and engineers who work with solid materials.

Chalcogenide-Based Nanomaterials as Photocatalysts

Chalcogenide-Based Nanomaterials as Photocatalysts PDF Author: Mohammad Mansoob Khan
Publisher: Elsevier
ISBN: 0128209178
Category : Technology & Engineering
Languages : en
Pages : 378

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Book Description
Chalcogenide-Based Nanomaterials as Photocatalysts deals with the different types of chalcogenide-based photocatalytic reactions, covering the fundamental concepts of photocatalytic reactions involving chalcogenides for a range of energy and environmental applications. Sections focus on nanostructure control, synthesis methods, activity enhancement strategies, environmental applications, and perspectives of chalcogenide-based nanomaterials. The book offers guidelines for designing new chalcogenide-based nanoscale photocatalysts at low cost and high efficiency for efficient utilization of solar energy in the areas of energy production and environment remediation. - Provides information on the development of novel chalcogenide-based nanomaterials - Outlines the fundamentals of chalcogenides-based photocatalysis - Includes techniques for heterogeneous catalysis based on chalcogenide-based nanomaterials

Optical Properties Of Graphene

Optical Properties Of Graphene PDF Author: Rolf Binder
Publisher: World Scientific
ISBN: 9813148764
Category : Science
Languages : en
Pages : 517

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Book Description
This book provides a comprehensive state-of-the-art overview of the optical properties of graphene. During the past decade, graphene, the most ideal and thinnest of all two-dimensional materials, has become one of the most widely studied materials. Its unique properties hold great promise to revolutionize many electronic, optical and opto-electronic devices. The book contains an introductory tutorial and 13 chapters written by experts in areas ranging from fundamental quantum mechanical properties to opto-electronic device applications of graphene.

Thermoelectric Materials

Thermoelectric Materials PDF Author: Enrique Macia
Publisher: CRC Press
ISBN: 9814463531
Category : Science
Languages : en
Pages : 355

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Book Description
Environmental and economic concerns have significantly spurred the search for novel, high-performance thermoelectric materials for energy conversion in small-scale power generation and refrigeration devices. This quest has been mainly fueled by the introduction of new designs and the synthesis of new materials. In fact, good thermoelectric material