Semiconductor science and technology is the art of defect engineering. The theoretical modeling of defects has improved dramatically over the past decade. These tools are now applied to a wide range of materials issues: quantum dots, buckyballs, spintronics, interfaces, amorphous systems, and many others. This volume presents a coherent and detailed description of the field, and brings together leaders in theoretical research. Today's state-of-the-art, as well as tomorrow’s tools, are discussed: the supercell-pseudopotential method, the GW formalism,Quantum Monte Carlo, learn-on-the-fly molecular dynamics, finite-temperature treatments, etc. A wealth of applications are included, from point defects to wafer bonding or the propagation of dislocation.

This book surveys the theory of defects in solids, concentrating on the electronic structure of point defects in insulators and semiconductors. The relations between different approaches are described, and the predictions of the theory compared critically with experiment. The physical assumptions and approximations are emphasized. The book begins with the perfect solid, then reviews the main methods of calculating defect energy levels and wave functions. The calculation and observable defect properties is discussed, and finally, the theory is applied to a range of defects that are very different in nature. This book is intended for research workers and graduate students interested in solid-state physics. From reviews of the hardback: 'It is unique and of great value to all interested in the basic aspects of defects in solids.' Physics Today 'This is a particularly worthy book, one which has long been needed by the theoretician and experimentalist alike.' Nature

This volume presents a coherent and detailed description of the field, and brings together leaders in theoretical research. The book discusses today's state-of-the-art, as well as tomorrow’s tools: the supercell-pseudopotential method, the GW formalism, Quantum Monte Carlo, learn-on-the-fly molecular dynamics, finite-temperature treatments and more. A wealth of applications are included, from point defects to wafer bonding or the propagation of dislocation.

This volume, number 91 in the Semiconductor and Semimetals series, focuses on defects in semiconductors. Defects in semiconductors help to explain several phenomena, from diffusion to getter, and to draw theories on materials' behavior in response to electrical or mechanical fields. The volume includes chapters focusing specifically on electron and proton irradiation of silicon, point defects in zinc oxide and gallium nitride, ion implantation defects and shallow junctions in silicon and germanium, and much more. It will help support students and scientists in their experimental and theoretical paths. Expert contributors Reviews of the most important recent literature Clear illustrations A broad view, including examination of defects in different semiconductors

From its early beginning before the war, the field of semiconductors has developped as a classical example where the standard approximations of 'band theory' can be safely used to study its interesting electronic properties. Thus in these covalent crystals, the electronic structure is only weakly coupled with the atomic vibrations; one-electron Bloch functions can be used and their energy bands can be accurately computed in the neighborhood of the energy gap between the valence and conduction bands; nand p doping can be obtained by introducing substitutional impurities which only introduce shallow donors and acceptors and can be studied by an effective-mass weak-scattering description. Yet, even at the beginning, it was known from luminescence studies that these simple concepts failed to describe the various 'deep levels' introduced near the middle of the energy gap by strong localized imperfections. These imperfections not only include some interstitial and many substitutional atoms, but also 'broken bonds' associated with surfaces and interfaces, dis location cores and 'vacancies', i.e., vacant iattice sites in the crystal. In all these cases, the electronic structure can be strongly correlated with the details of the atomic structure and the atomic motion. Because these 'deep levels' are strongly localised, electron-electron correlations can also playa significant role, and any weak perturbation treatment from the perfect crystal structure obviously fails. Thus, approximate 'strong coupling' techniques must often be used, in line' with a more chemical de scription of bonding.

The precedent book with the title "Structural Analysis of Point Defects in Solids: An introduction to multiple magnetic resonance spectroscopy" ap peared about 10 years ago. Since then a very active development has oc curred both with respect to the experimental methods and the theoretical interpretation of the experimental results. It would therefore not have been sufficient to simply publish a second edition of the precedent book with cor rections and a few additions. Furthermore the application of the multiple magnetic resonance methods has more and more shifted towards materials science and represents one of the important methods of materials analysis. Multiple magnetic resonances are used less now for "fundamental" studies in solid state physics. Therefore a more "pedestrian" access to the meth ods is called for to help the materials scientist to use them or to appreciate results obtained by using these methods. We have kept the two introduc tory chapters on conventional electron paramagnetic resonance (EPR) of the precedent book which are the base for the multiple resonance methods. The chapter on optical detection of EPR (ODEPR) was supplemented by sections on the structural information one can get from "forbidden" transitions as well as on spatial correlations between defects in the so-called "cross relaxation spectroscopy". High-field ODEPR/ENDOR was also added. The chapter on stationary electron nuclear double resonance (ENDOR) was supplemented by the method of stochastic END OR developed a few years ago in Paderborn which is now also commercially available.

This book surveys the theory of defects in solids, concentrating on the electronic structure of point defects in insulators and semiconductors. The relations between different approaches are described, and the predictions of the theory compared critically with experiment. The physicalassumptions and approximations are emphasized. Theory of Defects in Solids begins with the perfect solid, then reviews the main methods of calculating defect energy levels and wave functions. The calculation of observable defect properties is discussed, and finally, the theory is applied to a range of defects that are very different in nature.This book is intended for research workers and graduate students interested in solid-state physics.