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Theoretical Modeling of Inorganic Nanostructures
This book summarizes the state of the art in the theoretical modeling of inorganic nanostructures. Extending the first edition, published in 2015, it presents applications to new nanostructured materials and theoretical explanations of recently discovered optical and thermodynamic properties of known nanomaterials. It discusses the developments in theoretical modeling of nanostructures, describing fundamental approaches such as symmetry analysis and applied calculation methods. The book also examines the theoretical aspects of many thermodynamic and the optical properties of nanostructures. The new edition includes additional descriptions of the theoretical modeling of nanostructures in novel materials such as the V2O5 binary oxide, ZnS, CdS, MoSSe and SnS2.
Silicon Carbide
Since the 1997 publication of "Silicon Carbide - A Review of Fundamental Questions and Applications to Current Device Technology" edited by Choyke, et al., there has been impressive progress in both the fundamental and developmental aspects of the SiC field. So there is a growing need to update the scientific community on the important events in research and development since then. The editors have again gathered an outstanding team of the world's leading SiC researchers and design engineers to write on the most recent developments in SiC.
SiC Power Materials
This book reviews the progress achieved in SiC research and development, particularly over the past 10 years. It presents the essential properties of 3C-, 6H- and 4H-SiC polytypes including structural, electrical, optical, surface and interface properties; describes existing key SiC devices and also the challenges in materials growth and device fabrication of the 21st century.
Multiscale Dynamics Simulations: Nano and Nano-bio Systems in Complex Environments
Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options.
Rare-Earth Doped III-Nitrides for Optoelectronic and Spintronic Applications
This book summarises recent progress in the science and technology of rare-earth doped nitrides, providing a snapshot of the field at a critical point in its development. It is the first book on rare-earth doped III-Nitrides and semiconductors.
Advanced Calculations for Defects in Materials
This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the merits of hybrid and screened functionals, as well as of the +U methods are assessed in comparison to various perturbative and Quantum Monte Carlo many body theories. The inclusion of excitonic effects is also discussed by way of solving the Bethe-Salpeter equation or by using time-dependent DFT, based on GW or hybrid functional calculations. Particular attention is paid to overcome the side effects connected to finite size modeling. The editors are well known authorities in this field, and very ...
Diversity in the Neuronal Machine
Aims to provide insights into the striking degree of cellular diversity found in the interneuronal microcircuits in the brain's neocortex and hippocampus. This book elaborates on different ideas about interneuronal diversity that rest upon theoretical and experimental results and is useful for neuroscientists.
Quantum Chemistry of Solids
Quantum Chemistry of Solids delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of Hartree-Fock(HF), Density Function theory(DFT) and hybrid Hamiltonians. The translation and site symmetry consideration is included to establish connection between k-space solid –state physics and real-space quantum chemistry. The inclusion of electron correlation effects for periodic systems is considered on the basis of localized crystalline orbitals. The possibilities of LCAO meth...
