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"--
