Diverse Quasiparticle Properties of Emerging Materials : First-Principles Simulations

Omtale

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.