Diverse quasiparticle properties of emerging materials[electronic resource] :first-principles simulations
- 其他作者: Hanh, Tran Thi Thu.
- 出版: Boca Raton, FL : CRC Press 2023.
- 版本: 1st ed.
- 稽核項: 1 online resource.
- 標題: Materials Optical properties. , Optical properties. , Electric properties. , Materials , Quasiparticles (Physics) , Materials Electric properties.
- ISBN: 1000738663 , 9781000738667
- ISBN: 9781032345192 , 9781032323053
- 試查全文@TNUA:
- 附註: Includes bibliographical references and index. The theoretical frameworks -- Experimental measurements -- Electronic and transport properties of the sawtooth-sawtooth penta-graphene nanoribbons -- Feature-rich quasiparticle properties of halogen-adsorbed silicene nanoribbons -- Essential properties of metals/transition metals-adsorbed graphene nanoribbons -- Essential electronic properties of zigzag carbon and silicon nanotubes -- Electronic and optical properties of boron/carbon and nitrogen substituted silicene systems : a DFT study -- Hydrogen adsorption on two dimensional germanene and its structural defects : ab initio investigation -- Adatom-enriched essential quasiparticle properties of germanene : a DFT study -- Excitonic and spin-orbit coupling effects on optical properties of plumbene adsorption hydrogen -- Diverse phenomena in stage-2/3/4 in AlCl4/Al2Cl7 graphite intercalation compounds of aluminumion-based battery cathodes -- Geometric and electronic properties of LiFeO2 -- Stacking-enriched quasiparticle properties of bilayer HfX2 (X = S, Se, or Te) -- Geometric and electronic properties of ternary compound Li4Ti5O12 -- Zero-point vibration of the adsorbed hydrogen on the Pt(110) surface -- Magnetotransport properties of bismuth chalcogenide topological insulators -- Applications -- Concluding remarks -- Future challenges -- Problems.
- 摘要: "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. The book illustrates various quasiparticle phenomena, mainly covering orbital hybridizations and spin-up/spin-down configurations. It considers such emerging materials as zigzag nanotubes, nanoribbons, germanene, plumbene, bismuth chalcogenide insulators, and many others. The book also includes a section on applications of these materials. The text is aimed at professionals in materials science, physics, physical chemistry, and upper level students in these fields"--
- 電子資源: https://dbs.tnua.edu.tw/login?url=https://www.taylorfrancis.com/books/9781003322573
- 系統號: 005338652
- 資料類型: 電子書
- 讀者標籤: 需登入
- 引用網址: 複製連結
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.
來源: Google Book
來源: Google Book
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