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.

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Yes, you can access Diverse Quasiparticle Properties of Emerging Materials by Tran Thi Thu Hanh, Vo Khuong Dien, Ngoc Thanh Thuy Tran, Ching-Hong Ho, Thi Dieu Hien Nguyen, Ming-Fa Lin, Tran Thi Thu Hanh,Vo Khuong Dien,Ngoc Thanh Thuy Tran,Ching-Hong Ho,Thi Dieu Hien Nguyen,Ming-Fa Lin in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Chemistry. We have over one million books available in our catalogue for you to explore.

Information

Publisher

Year

Print ISBN

eBook ISBN

Edition

Topic

Physical Sciences

Subtopic

Chemistry

Index

Chemistry

Cover
Half Title
Title
Copyright
Contents
Preface
Acknowledgments
Editors
Contributors
Chapter 1 Introduction
Chapter 2 The Theoretical Frameworks
Chapter 3 Experimental Measurements
Chapter 4 Electronic and Transport Properties of the Sawtooth-Sawtooth Penta-Graphene Nanoribbons
Chapter 5 Feature-Rich Quasiparticle Properties of Halogen-Adsorbed Silicene Nanoribbons
Chapter 6 Essential Properties of Metals/Transition Metals-Adsorbed Graphene Nanoribbons
Chapter 7 Essential Electronic Properties of Zigzag Carbon and Silicon Nanotubes
Chapter 8 Electronic and Optical Properties of Boron-/Carbon- and Nitrogen-Substituted Silicene Systems: A DFT Study
Chapter 9 Adatom-Enriched Essential Quasiparticle Properties of Germanene: A DFT Study
Chapter 10 Excitonic and Spin-Orbit Coupling Effects on Optical Properties of Plumbene Adsorption Hydrogen
Chapter 11 Diverse Phenomena in Stage 2/3/4 in AlCl4/Al2Cl7 Graphite Intercalation Compounds of Aluminum-Ion-Based Battery Cathodes
Chapter 12 Geometric and Electronic Properties of LiFeO2
Chapter 13 Stacking-Enriched Quasiparticle Properties of Bilayer HfX2 (X = S, Se, or Te)
Chapter 14 Geometric and Electronic Properties of Ternary Compound Li4Ti5O12
Chapter 15 Zero-Point Vibration of the Adsorbed Hydrogen on the Pt(110) Surface
Chapter 16 Magnetotransport Properties of Bismuth Chalcogenide Topological Insulators
Chapter 17 Applications
Chapter 18 Concluding Remarks
Chapter 19 Future Challenges
Chapter 20 Problems
Index

About this book

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Table of contents