Diverse Quasiparticle Properties of Emerging Materials : First-Principles Simulations

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Diverse Quasiparticle Properties of Emerging Materials : First-Principles Simulations

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  • 製本 Paperback:紙装版/ペーパーバック版/ページ数 414 p.
  • 言語 ENG
  • 商品コード 9781032345192
  • DDC分類 620.11299

Full Description

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.

Contents

Chapter 1 Introduction 1

Tran Thi Thu Hanh, Jhao-Ying Wu, Vo Khuong Dien, Thi Dieu Hien Nguyen, Thi My Duyen Huynh, and Ming-Fa Lin

Chapter 2 The Theoretical Frameworks

Chiun-Yan Lin, Ching-Hong Ho, Jhao-Ying Wu, Vo Khuong Dien, Wei-Bang Li, and Ming-Fa Lin

Chapter 3 Experimental Measurements

Jhao-Ying Wu, Nguyen Thanh Tien, Phuoc Huu Le, Thi Dieu Hien Nguyen, Vo Khuong Dien, and Ming-Fa Lin

Chapter 4 Electronic and Transport Properties of the Sawtooth- Sawtooth Penta-Graphene Nanoribbons

Nguyen Thanh Tien, Pham Thi Bich Thao, and Ming-Fa Lin

Chapter 5 Feature-Rich Quasiparticle Properties of Halogen-Adsorbed Silicene Nanoribbons

Duy Khanh Nguyen, Vo Duy Dat, Vo Van On, and Ming-Fa Lin

Chapter 6 Essential Properties of Metals/Transition Metals-Adsorbed Graphene Nanoribbons

Ngoc Thanh Thuy Tran, Shih-Yang Lin, and Ming Fa-Lin

Chapter 7 Essential Electronic Properties of Zigzag Carbon and Silicon Nanotubes

Hsin-Yi Liu and Ming-Fa Lin

Chapter 8 Electronic and Optical Properties of Boron-/Carbon- and Nitrogen-Substituted Silicene Systems: A DFT Study

Jheng-Hong Shih, Jhao-Ying Wu, and Ming-Fa Lin

Chapter 9 Adatom-Enriched Essential Quasiparticle Properties of Germanene: A DFT Study

Yu-Ming Wang, Jhao-Ying Wu, Thi Dieu Hien Nguyen, Vo Khuong Dien, Thi My Duyen Huynh and Ming-Fa Lin

Chapter 10 Excitonic and Spin-Orbit Coupling Effects on Optical Properties of Plumbene Adsorption Hydrogen

Vo Khuong Dien, Nguyen Thi Han, and Ming-Fa Lin

Chapter 14 Geometric and Electronic Properties of Ternary Compound Li4Ti5O12

Thi Dieu Hien Nguyen and Ming-Fa Lin

Chapter 11 Diverse Phenomena in Stage 2/3/4 in AlCl4/Al2Cl7 Graphite Intercalation Compounds of Aluminum-Ion- Based Battery Cathodes

Wei-Bang Li, Ming-Hsiu Tsai, and Ming-Fa Lin

Chapter 12 Geometric and Electronic Properties of LiFeO2

Vo Khuong Dien, Nguyen Thi Han, and Ming-Fa Lin

Chapter 13 Stacking-Enriched Quasiparticle Properties of Bilayer HfX2 (X = S, Se, or Te)

Thi My Duyen Huynh and Ming-Fa Lin

Chapter 15 Zero-Point Vibration of the Adsorbed Hydrogen on the Pt(110) Surface

Tran Thi Thu Hanh and Nguyen Van Hoa

Chapter 16 Magnetotransport Properties of Bismuth Chalcogenide Topological Insulators

Le Thi Cam Tuyen, Phuoc Huu Le, and Ming-Fa Lin

Chapter 17 Applications

Thi Dieu Hien Nguyen, Vo Khuong Dien, Thi My Duyen Huynh, Wei-Bang Li, Nguyen Thanh Tien, Phuoc Huu Le, and Ming-Fa Lin

Chapter 18 Concluding Remarks

Vo Khuong Dien, Tran Thi Thu Hanh, Wei-Bang Li, Ngoc Thanh Thuy Tran, Duy Khanh Nguyen, and Ming-Fa Lin

Chapter 19 Future Challenges

Ching-Hong Ho, Vo Khuong Dien, Nguyen Thi Han, Tran Thi Thu Hanh, Ngoc Thanh Thuy Tran, and Ming-Fa Lin

Chapter 20 Problems

Nguyen Thi Han, Vo Khuong Dien, Ching-Hong Ho, Nguyen Thanh Tien, Phuoc Huu Le, and Ming-Fa Lin

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