Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations

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 confgurations, 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 confgurations 

• 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.