Diverse Quasiparticle Properties of Emerging Materials
Diverse Quasiparticle Properties of Emerging Materials

Author: Tran Thi Thu Hanh

Publisher: CRC Press

Published: 2022-10-07

Total Pages: 432

ISBN-13: 1000738647

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Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations thoroughly explores the rich and unique quasiparticle properties of emergent materials through a VASP-based theoretical framework. Evaluations and analyses are conducted on the crystal symmetries, electronic energy spectra/wave functions, spatial charge densities, van Hove singularities, magnetic moments, spin configurations, optical absorption structures with/without excitonic effects, quantum transports, and atomic coherent oscillations. Key Features Illustrates various quasiparticle phenomena, mainly covering orbital hybridizations and spin-up/spin-down configurations Mainly focuses on electrons and holes, in which their methods and techniques could be generalized to other quasiparticles, such as phonons and photons Considers such emerging materials as zigzag nanotubes, nanoribbons, germanene, plumbene, bismuth chalcogenide insulators Includes a section on applications of these materials This book is aimed at professionals and researchers in materials science, physics, and physical chemistry, as well as upper-level students in these fields.

Diverse Quasiparticle Properties of Emerging Materials
Diverse Quasiparticle Properties of Emerging Materials

Author: Tran Thi Thu Hanh

Publisher: CRC Press

Published: 2022-10-07

Total Pages: 0

ISBN-13: 9781003322573

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Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations thoroughly explores the rich and unique quasiparticle properties of emergent materials through a VASP-based theoretical framework. Evaluations and analyses are conducted on the crystal symmetries, electronic energy spectra/wave functions, spatial charge densities, van Hove singularities, magnetic moments, spin configurations, optical absorption structures with/without excitonic effects, quantum transports, and atomic coherent oscillations. Key Features Illustrates various quasiparticle phenomena, mainly covering orbital hybridizations and spin-up/spin-down configurations Mainly focuses on electrons and holes, in which their methods and techniques could be generalized to other quasiparticles, such as phonons and photons Considers such emerging materials as zigzag nanotubes, nanoribbons, germanene, plumbene, bismuth chalcogenide insulators Includes a section on applications of these materials This book is aimed at professionals and researchers in materials science, physics, and physical chemistry, as well as upper-level students in these fields.

Rich Quasiparticle Properties In Layered Graphene-related Systems
Rich Quasiparticle Properties In Layered Graphene-related Systems

Author: Ming-fa Lin

Publisher: World Scientific

Published: 2023-12-27

Total Pages: 445

ISBN-13: 981127780X

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This comprehensive book delves into the fascinating world of quasiparticle properties of graphene-related materials. The authors thoroughly explore the intricate effects of intrinsic and extrinsic interactions on the material's properties, while unifying the single-particle and many-particle properties through the development of a theoretical framework. The book covers a wide range of research topics, including long-range Coulomb interactions, dynamic charge density waves, Friedel oscillations and plasmon excitations, as well as optical reflection and transmission spectra of thin films. Also it highlights the crucial roles of inelastic Coulomb scattering and optical scattering in the quasiparticle properties of layered systems, and the impact of crystal symmetry, number of layers, and stacking configuration on their uniqueness. Furthermore, the authors explore the topological properties of quasiparticles, including 2D time-reversal-symmetry protected topological insulators with quantum spin Hall effect, and rhombohedral graphite with Dirac nodal lines. Meanwhile, the book examines the gate potential application for creating topological localized states and shows topological invariants of 2D Dirac fermions, and binary Z2 topological invariants under chiral symmetry. The calculated results are consistent with the present experimental observations, establishing it as a valuable resource for individuals interested in the quasiparticle properties of novel materials.

Lithium-Related Batteries
Lithium-Related Batteries

Author: Ngoc Thanh Thuy Tran

Publisher: CRC Press

Published: 2022-03-09

Total Pages: 407

ISBN-13: 1000548244

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This book serves as a comprehensive treatment of the advanced microscopic properties of lithium- and sodium-based batteries. It focuses on the development of the quasiparticle framework and the successful syntheses of cathode/electrolyte/anode materials in these batteries. FEATURES Highlights lithium-ion and sodium-ion batteries as well as lithium sulfur-, aluminum-, and iron-related batteries Describes advanced battery materials and their fundamental properties Addresses challenges to improving battery performance Develops theoretical predictions and experimental observations under a unified quasiparticle framework Targets core issues such as stability and efficiencies Lithium-Related Batteries: Advances and Challenges will appeal to researchers and advanced students working in battery development, including those in the fields of materials, chemical, and energy engineering.

Fundamental Physicochemical Properties of Germanene-related Materials
Fundamental Physicochemical Properties of Germanene-related Materials

Author: Chi-Hsuan Lee

Publisher: Elsevier

Published: 2023-05-23

Total Pages: 556

ISBN-13: 0443158029

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Fundamental Physicochemical Properties of Germanene-related Materials: A Theoretical Perspective provides a comprehensive review of germanene-related materials to help users understand the essential properties of these compounds. The book covers various germanium complex states such as germanium oxides, germanium on Ag, germanium/silicon composites and germanium compounds. Diverse phenomena are clearly illustrated using the most outstanding candidates of the germanium/germanene-related material. Delicate simulations and analyses are thoroughly demonstrated under the first-principles method, being fully assisted by phenomenological models. Macroscopic phenomena in chemical systems, including their principles, practices and concepts of physics such as energy, structure, thermodynamics and quantum chemistry are fully covered. Germanium-based materials play critical roles in the basic and applied sciences, as clearly revealed in other group-IV and group-V condensed-matter systems. Their atomic configurations are suitable for creating the active chemical bonding among the identical and/or different nearest-neighboring atoms leading to diverse physical/chemical/material environments. - Provides a comprehensive review of germanene-related materials with a physicochemical and theoretical foundation that is useful for readers in understanding the essential properties of these compounds - Presents a unique theoretical framework under single and multi-hybridization theory - Contains significant combinations with phenomenological and experimental measurements - Focuses on the study of macroscopic phenomena in chemical systems in terms of their principles, practices and concepts of physics such as energy, structure, thermodynamics and quantum chemistry

Superconductivity in New Materials
Superconductivity in New Materials

Author:

Publisher: Elsevier

Published: 2010-09-30

Total Pages: 285

ISBN-13: 0080958605

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The discoveries of new superconducting materials, most of them during the last 30 years, have served very much as the context for further developments in theory which continue to the present. In many of these cases, the observations of superconductivity in new materials were completely unexpected and therefore may be regarded as real discoveries. Even the most visible progress, which followed a search using, to some extent, conventional wisdom, was finally rather unexpected – the discovery of high-Tc superconductivity in copper oxides. This book presents superconductivity in this materials context and displays some of the underlying simplicity in the materials record that provided fuel for the theoretical developments. Not only is the phenomenon deeply interesting, the metallic systems where it plays out are as well, and superconductivity gives a very interesting window from which to view the nature of electrically conducting materials. The level is not advanced, yet allows the serious reader to access the current developments in the literature. Addresses in detail the exciting developments after 1980. Demonstrates that progress in superconductivity is to a large extent due to progress in materials synthesis and characterization. Gateway to the current developments in the literature.

Properties and Applications of Thermoelectric Materials
Properties and Applications of Thermoelectric Materials

Author: Veljko Zlatic

Publisher: Springer Science & Business Media

Published: 2009-06-24

Total Pages: 340

ISBN-13: 9048128927

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As concerns with the efficient use of energy resources, and the minimization of environmental damage have come to the fore, there has been a renewed interest in the role that thermoelectric devices could play in generating electricity from waste heat, enabling cooling via refrigerators with no moving parts, and many other more specialized applications. The main problem in realizing this ambition is the rather low efficiency of such devices for general applications. This book deals with the proceedings of a workshop addressed that problems by reviewing the latest experimental and theoretical work on suitable materials for device applications and by exploring various strategies that might increase their efficiency. The proceedings cover a broad range of approaches, from the experimental work of fabricating new compounds through to theoretical work in characterizing and understanding their properties. The effects of strong electron correlation, disorder, the proximity to metal-insulator transitions, the properties of layered composite materials, and the introduction of voids or cages into the structure to reduce the lattice thermal conductivity are all explored as ways of enhancing the efficiency of their use in thermoelectric devices.

Topics In Computational Materials Science
Topics In Computational Materials Science

Author: Ching-yao Fong

Publisher: World Scientific

Published: 1998-02-28

Total Pages: 395

ISBN-13: 9814497355

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This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can advance more realistic calculations for understanding the physical principles in new growth methods of optoelectronic materials and related surface problems. These principles also govern the photonic, electronic, and structural properties of materials which are essential for device applications. They will also provide the crucial ingredients for the growth of future novel materials.

Condensed-Matter and Materials Physics
Condensed-Matter and Materials Physics

Author: National Research Council

Publisher: National Academies Press

Published: 2008-01-21

Total Pages: 285

ISBN-13: 0309109698

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The development of transistors, the integrated circuit, liquid-crystal displays, and even DVD players can be traced back to fundamental research pioneered in the field of condensed-matter and materials physics (CMPP). The United States has been a leader in the field, but that status is now in jeopardy. Condensed-Matter and Materials Physics, part of the Physics 2010 decadal survey project, assesses the present state of the field in the United States, examines possible directions for the 21st century, offers a set of scientific challenges for American researchers to tackle, and makes recommendations for effective spending of federal funds. This book maintains that the field of CMPP is certain to be principle to both scientific and economic advances over the next decade and the lack of an achievable plan would leave the United States behind. This book's discussion of the intellectual and technological challenges of the coming decade centers around six grand challenges concerning energy demand, the physics of life, information technology, nanotechnology, complex phenomena, and behavior far from equilibrium. Policy makers, university administrators, industry research and development executives dependent upon developments in CMPP, and scientists working in the field will find this book of interest.