Multi-scale Simulations of Thin-film Metal Epitaxial Growth

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Publisher :
ISBN 13 :
Total Pages : 286 pages
Book Rating : 4.:/5 (496 download)

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Book Synopsis Multi-scale Simulations of Thin-film Metal Epitaxial Growth by : Valery Borovikov

Download or read book Multi-scale Simulations of Thin-film Metal Epitaxial Growth written by Valery Borovikov and published by . This book was released on 2008 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main objective of the work presented in this thesis is to contribute to the understanding of how the growth conditions may affect the surface morphology during deposition. In thin film growth physical processes in a very wide range of time and length scales are relevant. A set of quite different methods of modeling is required when aiming at a more or less complete realistic picture of the growth process. Accordingly, both computer simulations/modeling and analytic calculations were employed in our studies of thin film growth. In particular, a hybrid multi-scale model, which combines a kinetic Monte Carlo (KMC) simulation for the thermal surface diffusion with a Molecular Dynamics (MD) simulation of deposition events, was developed and successfully employed to study Cu/Cu(100) growth at a range of substrate temperatures and deposition angles. Predictive capabilities of this model allowed us to explain a number of puzzling experimental observations. Another accomplishment presented in this thesis is an analytic calculation of the surface current and selected mound angle for the case of epitaxial growth on fcc(111) surface. The results of this calculation help to understand the morphologies observed experimentally for a wide range of systems and deposition conditions.

Multiscale Modeling in Epitaxial Growth

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Publisher : Springer Science & Business Media
ISBN 13 : 3764373431
Total Pages : 240 pages
Book Rating : 4.7/5 (643 download)

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Book Synopsis Multiscale Modeling in Epitaxial Growth by : Axel Voigt

Download or read book Multiscale Modeling in Epitaxial Growth written by Axel Voigt and published by Springer Science & Business Media. This book was released on 2006-03-30 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epitaxy is relevant for thin film growth and is a very active area of theoretical research since several years. Recently powerful numerical techniques have been used to link atomistic effects at the film's surface to its macroscopic morphology. This book also serves as an introduction into this highly active interdisciplinary field of research for applied mathematicians, theoretical physicists and computational materials scientists.

Multi-Scale Modelling of the Epitaxial Growth of Organic Thin Films on Insulating Surfaces

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (129 download)

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Book Synopsis Multi-Scale Modelling of the Epitaxial Growth of Organic Thin Films on Insulating Surfaces by : William Janke

Download or read book Multi-Scale Modelling of the Epitaxial Growth of Organic Thin Films on Insulating Surfaces written by William Janke and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:

Growth and Properties of Ultrathin Epitaxial Layers

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Publisher : Elsevier
ISBN 13 : 0080532675
Total Pages : 673 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Growth and Properties of Ultrathin Epitaxial Layers by :

Download or read book Growth and Properties of Ultrathin Epitaxial Layers written by and published by Elsevier. This book was released on 1997-06-18 with total page 673 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although there has been steady progress in understanding aspects of epitaxial growth throughout the last 30 years of modern surface science, work in this area has intensified greatly in the last 5 years. A number of factors have contributed to this expansion. One has been the general trend in surface science to tackle problems of increasing complexity as confidence is gained in the methodology, so for example, the role of oxide/metal interfaces in determining the properties of many practical supported catalysts is now being explored in greater detail. A second factor is the recognition of the potential importance of artificial multilayer materials not only in semiconductor devices but also in metal/metal systems because of their novel magnetic properties. Perhaps even more important than either of these application areas, however, is the newly-discovered power of scanning probe microscopies, and most notably scanning tunneling microscopy (STM), to provide the means to study epitaxial growth phenomena on an atomic scale under a wide range of conditions. These techniques have also contributed to revitalised interest in methods of fabricating and exploiting artificial structures (lateral as well as in layers) on a nanometre scale. This volume, on Growth and Properties of Ultrathin Epitaxial Layers, includes a collection of articles which reflects the present state of activity in this field. The emphasis is on metals and oxides rather than semiconductors.

Atomistic Aspects of Epitaxial Growth

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Publisher : Springer Science & Business Media
ISBN 13 : 9401003912
Total Pages : 588 pages
Book Rating : 4.4/5 (1 download)

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Book Synopsis Atomistic Aspects of Epitaxial Growth by : Miroslav Kotrla

Download or read book Atomistic Aspects of Epitaxial Growth written by Miroslav Kotrla and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epitaxial growth lies at the heart of a wide range of industrial and technological applications. Recent breakthroughs, experimental and theoretical, allow actual atom-by-atom manipulation and an understanding of such processes, opening up a totally new area of unprecedented nanostructuring. The contributions to Atomistic Aspects of Epitaxial Growth are divided into five main sections, taking the reader from the atomistic details of surface diffusion to the macroscopic description of epitaxial systems. many of the papers contain substantial background material on theoretical and experimental methods, making the book suitable for both graduate students as a supplementary text in a course on epitaxial phenomena, and for professionals in the field.

Morphological Organization In Epitaxial Growth And Removal

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Publisher : World Scientific
ISBN 13 : 9814496162
Total Pages : 508 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Morphological Organization In Epitaxial Growth And Removal by : Max G Lagally

Download or read book Morphological Organization In Epitaxial Growth And Removal written by Max G Lagally and published by World Scientific. This book was released on 1999-01-29 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a critical assessment of the current status and the likely future directions of thin-film growth, an area of exceptional technological importance. Its emphasis is on descriptions of the atomic-scale mechanisms controlling the dynamics and thermodynamics of the morphological evolution of the growth front of thin films in diverse systems of fundamental and technological significance. The book covers most of the original and important conceptual developments made in the 1990s. The articles, written by leading experts, are arranged in five major categories — the theoretical basis, semiconductor-on-semiconductor growth, metal-on-metal growth, metal-on-semiconductor growth, and removal as the inverse process of growth. This book, the only one of its kind in this decade, will prove to be an indispensable reference source for active researchers, those having peripheral interest, and graduate students starting out in the field.

Multiscale Materials Modelling

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Publisher : Elsevier
ISBN 13 : 184569337X
Total Pages : 307 pages
Book Rating : 4.8/5 (456 download)

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Book Synopsis Multiscale Materials Modelling by : Z. X. Guo

Download or read book Multiscale Materials Modelling written by Z. X. Guo and published by Elsevier. This book was released on 2007-05-31 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications. The various chapters cover the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. The book covers such themes as dislocation behaviour and plasticity as well as the modelling of structural materials such as metals, polymers and ceramics. With its distinguished editor and international team of contributors, Multiscale materials modelling is a valuable reference for both the modelling community and those in industry wanting to know more about how multiscale materials modelling can help optimise product and process design. Reviews the principles and applications of mult-scale materials modelling Covers themes such as dislocation behaviour and plasticity and the modelling of structural materials Examines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling

Epitaxial Growth

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Publisher : Elsevier
ISBN 13 : 1483271811
Total Pages : 315 pages
Book Rating : 4.4/5 (832 download)

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Book Synopsis Epitaxial Growth by : J. W. Matthews

Download or read book Epitaxial Growth written by J. W. Matthews and published by Elsevier. This book was released on 2013-10-22 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epitaxial Growth Part B is the second part of a collection of review articles that describe various aspects of the growth of single-crystal films on single-crystal substrates. The topics discussed are the nucleation of thin films, the structure of the interface between film and substrate, and the generation of defects during film growth. The methods used to prepare and examine thin films are described and a list of the overgrowth-substrate combinations studied so far is given.

Epitaxy

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Publisher : Springer Science & Business Media
ISBN 13 : 9783540678212
Total Pages : 546 pages
Book Rating : 4.6/5 (782 download)

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Book Synopsis Epitaxy by : Marian A. Herman

Download or read book Epitaxy written by Marian A. Herman and published by Springer Science & Business Media. This book was released on 2004-01-22 with total page 546 pages. Available in PDF, EPUB and Kindle. Book excerpt: In a uniform and comprehensive manner the authors describe all the important aspects of the epitaxial growth processes of solid films on crystalline substrates, e.g. processes in which atoms of the growing film mimic the arrangement of the atoms of the substrate. Emphasis is put on sufficiently fundamental and unequivocal presentation of the subject in the form of an easy-to-read review. A large part of this book focuses on the problems of heteroepitaxy. The most important epitaxial growth techniques which are currently widely used in basic research as well as in manufacturing processes of devices are presented and discussed in detail.

Epitaxial Growth Part A

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Publisher : Elsevier
ISBN 13 : 0323152120
Total Pages : 401 pages
Book Rating : 4.3/5 (231 download)

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Book Synopsis Epitaxial Growth Part A by : J Matthews

Download or read book Epitaxial Growth Part A written by J Matthews and published by Elsevier. This book was released on 2012-12-02 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epitaxial Growth, Part A is a compilation of review articles that describe various aspects of the growth of single-crystal films on single-crystal substrates. The collection contains topics on the historical development of epitaxy, the nucleation of thin films, the structure of the interface between film and substrate, and the generation of defects during film growth. The text also provides descriptions of the methods used to prepare and examine thin films and a list of the overgrowth-substrate combinations studied. Mineralogists, materials engineers and scientists, and physicists will find this book a great source of insight.

New Frontiers in Multiscale Modelling of Advanced Materials

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Publisher : Frontiers Media SA
ISBN 13 : 2889197557
Total Pages : 93 pages
Book Rating : 4.8/5 (891 download)

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Book Synopsis New Frontiers in Multiscale Modelling of Advanced Materials by : Simone Taioli

Download or read book New Frontiers in Multiscale Modelling of Advanced Materials written by Simone Taioli and published by Frontiers Media SA. This book was released on 2016-01-22 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

Multiscale Atomistic Simulation of Metal-Oxygen Surface Interactions

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (953 download)

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Book Synopsis Multiscale Atomistic Simulation of Metal-Oxygen Surface Interactions by :

Download or read book Multiscale Atomistic Simulation of Metal-Oxygen Surface Interactions written by and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Our long-term vision is for a comprehensive and fundamental understanding of a critical gas-surface reaction, nano-oxidation from the adsorption of oxygen atoms on the metal surface to the coalescence of the bulk oxide via coordinated multi-scale theoretical and in situ experimental efforts. Reaching this goal necessitates close collaborations between theorists and experimentalists, and the development and utilization of unique and substantial theoretical and experimental tools. Achievement of this goal will be a major breakthrough in dynamic surface/interface reactions that will dramatically impact several scientific fields. Many of these are of interest to DOE, such as thin films and nanostructures that use oxidation for processing, heteroepitaxy, oxidation and corrosion, environmental stability of nano-devices, catalysis, fuel cells and sensors. The purpose of this specific DOE program was the support for the theoretical effort. Our focus for the first round of funding has been the development of a Kinetic Monte Carlo (KMC) code to simulate the complexities of oxygen interactions with a metal surface. Our primary deliverable is a user-friendly, general and quite versatile KMC program, called Thin Film Oxidation (TFOx). TFOx-2D presently simulates the general behavior of irreversible 2-dimensional nucleation and growth of epitaxial islands on a square or rectangular lattice. The TFOx model explicitly considers a very large range of elementary steps, including deposition, adsorption, dissociation of gas molecules (such as O2), surface diffusion, aggregation, desorption and substrate-mediated indirect interactions between static adatoms. This capability allows for the description of the numerous physical processes involved in nucleation and growth. The large number of possible input parameters used in this program provides a rich environment for the simulation of epitaxial growth or oxidation of thin films. As a first demonstration of the power of TFOx-2D, the input parameters were systematically altered to observe how various physical processes impact morphologies. It was noted that potential gradients, developed to simulate medium-range substrate mediated interactions such as strain, and the probability of an adatom attaching to an island, have the largest effect on island morphologies. Nanorods, and round, square and dendritic shapes have all been observed (see section 2E) which correlate well with experimental observations of the wide range of oxide morphologies produced during in situ oxidation of Cu thin films. The people involved in the development and utilization of TFOx included a post-doc, Dr. Rich McAfee, and a graduate student, Ms. Xuetian Han. Both joined this program in August 2002. Dr. McAfee has been at Brashear Co., in Pittsburgh, PA since June 2004. To allow TFOx to be accessible to the rest of the scientific community, a web-site describing TFOx has been developed: www.tfox.org. No unexpended funds are expected at the completion of the current funding cycle. For in-depth development of the theoretical effort, the Principle Investigator (PI) proposed in the initial grant to collaborate with Dr. Maria Bartelt at Lawrence Livermore National Lab (LLNL). A graduate student, Dr. Guangwen Zhou, was supported within this DOE program for several months, where he was to collaborate with Dr. Bartelt. Unfortunately, Dr. Bartelt became very ill during this time and passed away in 2003. The focus of Dr. Zhou's thesis work (completed in December, 2003) was the wide variety of oxide nanostructures (e.g., nano-rods, domes, and pyramids) that form during oxidation of Cu thin films in situ. His primary contribution while supported on this DOE grant was the demonstration that the elastic strain relief model, as developed by Tersoff and Tromp to explain nanorod formation in Ge/Si system, explains Cu2O nano-rod formation when Cu(100) is oxidized around 600C. Validation of this model requires surface and interface energies, and ...

Mechanisms and Principles of Epitaxial Growth in Metallic Systems:

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Publisher : Cambridge University Press
ISBN 13 : 9781107413696
Total Pages : 294 pages
Book Rating : 4.4/5 (136 download)

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Book Synopsis Mechanisms and Principles of Epitaxial Growth in Metallic Systems: by : Luc T. Wille

Download or read book Mechanisms and Principles of Epitaxial Growth in Metallic Systems: written by Luc T. Wille and published by Cambridge University Press. This book was released on 2014-06-05 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epitaxial growth is a crucial process in much of materials science. Technological applications abound, ranging from 'classical' examples such as magnetic recording devices, superconducting thin films and quantum dots, to more 'esoteric' applications in biological systems and nanotechnology. This book provides an overview of accomplishments to date, as well as the challenges that lie ahead. Several chapters indicate that a wide range of experimental techniques yields a wealth of information needed to develop reliable computational models. Measured data includes static features (island distribution, morphology, etc.) as well as dynamics (diffusion of atoms and islands). Contributions address efforts to co-ordinate these experimental observations with computational approaches. Also touched upon are the technological applications of epitaxially grown systems and illustrate the need for a better fundamental understanding of the phenomena. Topics include: alloying and effects of impurities; island distribution; strain and dislocation growth; sputter- and ion-assisted deposition and surface diffusion

Dissertation Abstracts International

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Publisher :
ISBN 13 :
Total Pages : 902 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Dissertation Abstracts International by :

Download or read book Dissertation Abstracts International written by and published by . This book was released on 2008 with total page 902 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Springer Handbook of Crystal Growth

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Publisher : Springer Science & Business Media
ISBN 13 : 3540747613
Total Pages : 1823 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Springer Handbook of Crystal Growth by : Govindhan Dhanaraj

Download or read book Springer Handbook of Crystal Growth written by Govindhan Dhanaraj and published by Springer Science & Business Media. This book was released on 2010-10-20 with total page 1823 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the years, many successful attempts have been chapters in this part describe the well-known processes made to describe the art and science of crystal growth, such as Czochralski, Kyropoulos, Bridgman, and o- and many review articles, monographs, symposium v- ing zone, and focus speci cally on recent advances in umes, and handbooks have been published to present improving these methodologies such as application of comprehensive reviews of the advances made in this magnetic elds, orientation of the growth axis, intro- eld. These publications are testament to the grow- duction of a pedestal, and shaped growth. They also ing interest in both bulk and thin- lm crystals because cover a wide range of materials from silicon and III–V of their electronic, optical, mechanical, microstructural, compounds to oxides and uorides. and other properties, and their diverse scienti c and The third part, Part C of the book, focuses on - technological applications. Indeed, most modern ad- lution growth. The various aspects of hydrothermal vances in semiconductor and optical devices would growth are discussed in two chapters, while three other not have been possible without the development of chapters present an overview of the nonlinear and laser many elemental, binary, ternary, and other compound crystals, KTP and KDP. The knowledge on the effect of crystals of varying properties and large sizes. The gravity on solution growth is presented through a c- literature devoted to basic understanding of growth parison of growth on Earth versus in a microgravity mechanisms, defect formation, and growth processes environment.

Epitaxial Growth of Thin Films

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Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (139 download)

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Book Synopsis Epitaxial Growth of Thin Films by : Daniel Rasic

Download or read book Epitaxial Growth of Thin Films written by Daniel Rasic and published by . This book was released on 2019 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Epitaxial thin film heterostructures are critical for integrating multi-functionality on a chip and creating smart structures for next-generation solid-state devices. Here, we discuss the traditional lattice matching epitaxy (LME) for small lattice misfit and domain matching epitaxy (DME), which handles epitaxial growth across the misfit scale, where lattice misfit strain is predominant and can be relaxed completely, meaning that only the thermal and defect strains remain upon cooling. In low misfit systems, all three sources contribute to the residual strain upon cooling, as result of incomplete lattice relaxation. In the second part of the chapter, we will discuss the two critical contributors to the stress of the epitaxial film: the thermal coefficient of expansion mismatch and the lattice plane misfit. In the last part of the chapter, we will focus on unique cases where room temperature epitaxial growth is possible in nitride and oxide thin films.

Physico-Chemical Phenomena in Thin Films and at Solid Surfaces

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Publisher : Elsevier
ISBN 13 : 0080480012
Total Pages : 800 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Physico-Chemical Phenomena in Thin Films and at Solid Surfaces by :

Download or read book Physico-Chemical Phenomena in Thin Films and at Solid Surfaces written by and published by Elsevier. This book was released on 2007-06-07 with total page 800 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is devoted to the consideration of the different processes taking place in thin films and at surfaces. Since the most important physico-chemical phenomena in such media are accompanied by the rearrangement of an intra- and intermolecular coordinates and consequently a surrounding molecular ensemble, the theory of radiationless multi-vibrational transitions is used for its description. The second part of the book considers the numerous surface phenomena. And in the third part is described the preparation methods and characteristics of different types of thin films. Both experimental and theoretical descriptions are represented. Media rearrangement coupled with the reagent transformation largely determines the absolute value and temperature dependence of the rate constants and other characteristics of the considered processes. These effects are described at the atomic or molecular level based on the multi-phonon theory, starting from the first pioneering studies through to contemporary studies.A number of questions are included at the end of many chapters to further reinforce the material presented. · Unified approach to the description of numerous physico-chemical phenomena in different materials· Based on the pioneering research work of the authors· Explantion of a variety of experimental observations· Material is presented at two levels of complexity for specialists and non-specialists · Identifies existing and potential applications of the processes and phenomena · Includes questions at the end of some chapters to further reinforce the material discussed