Description
Taylor and Francis Ltd Diverse Quasiparticle Properties of Emerging Materials 1st Edition 2022 Hardbound by Hanh, Tran Thi Thu
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 FeaturesIllustrates various quasiparticle phenomena, mainly covering orbital hybridizations and spin-up/spin-down configurationsMainly focuses on electrons and holes, in which their methods and techniques could be generalized to other quasiparticles, such as phonons and photonsConsiders such emerging materials as zigzag nanotubes, nanoribbons, germanene, plumbene, bismuth chalcogenide insulatorsIncludes a section on applications of these materialsThis book is aimed at professionals and researchers in materials science, physics, and physical chemistry, as well as upper-level students in these fields. 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 NanoribbonsNguyen 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 NanoribbonsNgoc Thanh Thuy Tran, Shih-Yang Lin, and Ming Fa-Lin Chapter 7 Essential Electronic Properties of Zigzag Carbon and Silicon NanotubesHsin-Yi Liu and Ming-Fa Lin Chapter 8 Electronic and Optical Properties of Boron-/Carbon- and Nitrogen-Substituted Silicene Systems: A DFT StudyJheng-Hong Shih, Jhao-Ying Wu, and Ming-Fa Lin Chapter 9 Adatom-Enriched Essential Quasiparticle Properties of Germanene: A DFT StudyYu-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 Li4Ti5O12Thi 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 CathodesWei-Bang Li, Ming-Hsiu Tsai, and Ming-Fa Lin Chapter 12 Geometric and Electronic Properties of LiFeO2Vo 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) SurfaceTran Thi Thu Hanh and Nguyen Van Hoa Chapter 16 Magnetotransport Properties of Bismuth Chalcogenide Topological InsulatorsLe 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 LinChapter 18 Concluding Remarks Vo Khuong Dien, Tran Thi Thu Hanh, Wei-Bang Li, Ngoc Thanh Thuy Tran, Duy Khanh Nguyen, and Ming-Fa LinChapter 19 Future Challenges Ching-Hong Ho, Vo Khuong Dien, Nguyen Thi Han, Tran Thi Thu Hanh, Ngoc Thanh Thuy Tran, and Ming-Fa LinChapter 20 ProblemsNguyen Thi Han, Vo Khuong Dien, Ching-Hong Ho, Nguyen Thanh Tien, Phuoc Huu Le, and Ming-Fa Lin