Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations

First-Principles Simulations investigates the diverse quasiparticle properties of emerging materials using a VASP-based theoretical framework,covering orbital hybridizations,spin-up/spin-down configurations,and applications in zigzag nanotubes,nanoribbons,germanene,plumbene,bismuth chalcogenide insulators.

Format: Hardback
Length: 414 pages
Publication date: 07 October 2022
Publisher: Taylor & Francis Ltd

Diverse Quasiparticle Properties of Emerging Materials: First-Principles Simulations delves into the intricate and diverse quasiparticle properties of emergent materials through a comprehensive theoretical framework utilizing VASP. Extensive evaluations and analyses are conducted on various aspects, including 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 a wide range of quasiparticle phenomena, primarily focusing on orbital hybridizations and spin-up/spin-down configurations.

Primarily concentrates on electrons and holes, with the potential for generalization to other quasiparticles like phonons and photons.

Considers emerging materials such as zigzag nanotubes, nanoribbons, germanene, plumbene, and bismuth chalcogenide insulators.

Includes a section on applications of these materials.

This book is designed for professionals and researchers in materials science, physics, and physical chemistry, as well as upper-level students in these fields.

Weight: 957g
Dimension: 234 x 156 (mm)
ISBN-13: 9781032323053