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 –sta...

A concise description of models and quantitative parameters in structural chemistry and their interrelations, with 280 tables and >3000 references giving the most up-to-date experimental data on energy characteristics of atoms, molecules and crystals (ionisation potentials, electron affinities, bond energies, heats of phase transitions, band and lattice energies), optical properties (refractive index, polarisability), spectroscopic characteristics and geometrical parameters (bond distances...

This book gathers the proceedings of the plenary sessions, invited lectures, and papers presented at the International Conference on Recent Trends in Materials Science and Applications (ICRTMSA-2016). It also features revealing presentations on various aspects of Materials Science, such as nanomaterials, photonic crystal fibers, quantum dots, thin film techniques, crystal growth, spectroscopic procedures, fabrication and characterisation of new materials / compounds with enhanced ...

In this book, a modern unified theory of dispersion forces on atoms and bodies is presented which covers a broad range of different aspects and scenarios. Macroscopic quantum electrodynamics is applied within the context of dispersion forces. In contrast to the normal-mode quantum electrodynamics traditionally used to study dispersion forces, the new approach allows to consider realistic material properties including absorption and is flexible enough to be applied to a broad range of geome...

Originated from studies on steam engines, thermodynamics is formulated traditi- ally for homogeneous materials. Applying to condensed matters however, laws of thermodynamics have to be evaluated with respect to the structural detail. Foll- ing after Kirkwood’s chemical thermodynamics, the author’s attempt is to discuss lattice dynamics in crystalline states in light of the traditional laws. It is noted that lattice symmetry remains as implicit in crystalline states if assumed as homo- neou...

This volume expands and updates the coverage in the authors' popular 1992 book, Electron Microdiffraction. As the title implies, the focus of the book has changed from electron microdiffraction and convergent beam electron diffraction to all forms of advanced transmission electron microscopy. Special attention is given to electron diffraction and imaging, including high-resolution TEM and STEM imaging, and the application of these methods to crystals, their defects, and nanostruct...

This concise book offers an essential introduction and reference guide for the many newcomers to the field of physics of elemental 2D materials. Silicene and related materials are currently among the most actively studied materials, especially following the first experimental synthesis on substrates in 2012. Accordingly, this primer introduces and reviews the most crucial developments regarding silicene from both theoretical and experimental perspectives. At the same time the reader is gui...

This book presents the dispersion relation in heavily doped nano-structures. The materials considered are III-V, II-VI, IV-VI, GaP, Ge, Platinum Antimonide, stressed, GaSb, Te, II-V, HgTe/CdTe superlattices and Bismuth Telluride semiconductors. The dispersion relation is discussed under magnetic quantization and on the basis of carrier energy spectra. The influences of magnetic field, magneto inversion, and magneto nipi structures on nano-structures is analyzed. The band structure of optoe...

Semiconductor nanostructures such as nanowires are promising building blocks of future nanoelectronic, nanophotonic and nanosensing devices. Their physical properties are primarily determined by the epitaxy process which is rather different from the conventional thin film growth. This book shows how the advanced nucleation theory can be used in modeling of growth properties, morphology and crystal phase of such nanostructures. The book represents a systematic account of modern nucleation t...

This book emphasizes the importance of the fascinating atomistic insights into the defects and the impurities as well as the dynamic behaviors in silicon materials, which have become more directly accessible over the past 20 years. Such progress has been made possible by newly developed experimental methods, first principle theories, and computer simulation techniques.The book is aimed at young researchers, scientists, and technicians in related industries. The main purposes are to...

In this thesis Johanna Bruckner reports the discovery of the lyotropic counterpart of the thermotropic SmC* phase, which has become famous as the only spontaneously polarized, ferroelectric fluid in nature. By means of polarizing optical microscopy, X-ray diffraction and electro-optic experiments she firmly establishes aspects of the structure of the novel lyotropic liquid crystalline phase and elucidates its fascinating properties, among them a pronounced polar electro-optic effect, analo...

Over the past twenty years, the field of carbon structures has been invigorated by the discovery of fullerenes and carbon nanotubes. These nano-structured carbons have attracted a tremendous interest in the fundamental properties of discrete carbon molecules, leading to the discovery of novel complex crystalline and quasi-crystalline materials. As a consequence, a variety of applications have been developed, including technical and bio-medical materials and miniaturized tools.D...