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Hyperfine Interaction Of Defects In Semiconductors
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Book Synopsis Hyperfine Interaction of Defects in Semiconductors by : G. Langouche
Download or read book Hyperfine Interaction of Defects in Semiconductors written by G. Langouche and published by Elsevier Publishing Company. This book was released on 1992 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of defects in semiconductors is of the utmost importance for the field of applied electronics, and for fundamental physics. They play an important role in the electronic properties of the basic material for semiconductor devices, but are often hard to characterize microscopically and to describe theoretically. The purpose of this book is to present a survey of the various techniques for the study of defects in semiconductors that make use of the hyperfine interaction between the atomic nucleus and the surrounding charge distribution. It also offers an assessment of the status of theory in calculating hyperfine interaction parameters. Written by leading experts in their respective fields, this book will be valuable for researchers and students alike.
Book Synopsis Identification of Defects in Semiconductors by :
Download or read book Identification of Defects in Semiconductors written by and published by Academic Press. This book was released on 1998-07-02 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since its inception in 1966, the series of numbered volumes known as Semiconductors and Semimetals has distinguished itself through the careful selection of well-known authors, editors, and contributors.The"Willardson and Beer"Series, as it is widely known, has succeeded in publishing numerous landmark volumes and chapters. Not only did many of these volumes make an impact at the time of their publication, but they continue to be well-cited years after their original release. Recently, Professor Eicke R. Weber of the University of California at Berkeley joined as a co-editor of the series. Professor Weber, a well-known expert in the field of semiconductor materials, will further contribute to continuing the series' tradition of publishing timely, highly relevant, and long-impacting volumes. Some of the recent volumes, such as Hydrogen in Semiconductors, Imperfections in III/V Materials, Epitaxial Microstructures, High-Speed Heterostructure Devices,Oxygen in Silicon, and others promise indeed that this tradition will be maintained and even expanded.Reflecting the truly interdisciplinary nature of the field that the series covers, the volumes in Semiconductors and Semimetals have been and will continue to be of great interest to physicists, chemists, materials scientists, and device engineers in modern industry.
Book Synopsis Special Defects in Semiconducting Materials by : R.P. Agarwala
Download or read book Special Defects in Semiconducting Materials written by R.P. Agarwala and published by Trans Tech Publications Ltd. This book was released on 1999-10-12 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the continuing evolution of fabrication techniques and new structures for semiconducting materials, the list of new defect phenomena has also increased apace. The present book discusses point defects, defect-assisted diffusion, metal impurity additions, metastable defects, magnetic hyperfine interaction of deep donors in compound semiconductors, and oxygen and hydrogen impurity defects.
Author :Johann-Martin Spaeth Publisher :Springer Science & Business Media ISBN 13 :9783540426950 Total Pages :508 pages Book Rating :4.4/5 (269 download)
Book Synopsis Point Defects in Semiconductors and Insulators by : Johann-Martin Spaeth
Download or read book Point Defects in Semiconductors and Insulators written by Johann-Martin Spaeth and published by Springer Science & Business Media. This book was released on 2003-01-22 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Point Defects in Semiconductors and Insulators by : Johann-Martin Spaeth
Download or read book Point Defects in Semiconductors and Insulators written by Johann-Martin Spaeth and published by Springer. This book was released on 2012-10-15 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Point Defects in Semiconductors and Insulators by : Johann-Martin Spaeth
Download or read book Point Defects in Semiconductors and Insulators written by Johann-Martin Spaeth and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Point Defects in Solids by : James H. Crawford
Download or read book Point Defects in Solids written by James H. Crawford and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1 of Point Defects in Solids has as its major emphasis defects in ionic solids. Volume 2 now extends this emphasis to semiconductors. The first four chapters treat in some detail the creation, kinetic behavior, inter actions, and physical properties of both simple and composite defects in a variety of semiconducting systems. Also included, as in Vol. 1, are chapters on special topics, namely phonon-defect interactions and defects in organic crystals. Defect behavior in semiconductors has been a subject of considerable interest since the discovery some twenty-five years ago that fast neutron irradiation profoundly affected the electrical characteristics of germanium and silicon. Present-day interest has been stimulated by such semiconductor applications as solar cell power plants for space stations and satellites and semiconductor particle and y-ray detectors, since in both radiation damage can cause serious deterioration. Of even greater practical concern is the need to understand particle damage in order to capitalize upon the develop ing technique of ion implantation as a means of device fabrication. Although the periodic international conferences on radiation effects in semiconductors have served the valuable function of summarizing the extensive work being done in this field, these proceedings are much too detailed and lack the background discussion needed to make them useful to the novice.
Book Synopsis Defect Interaction and Clustering in Semiconductors by : Sergio Pizzini
Download or read book Defect Interaction and Clustering in Semiconductors written by Sergio Pizzini and published by Trans Tech Publications Ltd. This book was released on 2001-12-12 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern semiconductor devices rely upon precise defect engineering. On the one hand: defects are the components needed to generate the electronic architecture of the device. On the other hand: they may if not carefully controlled induce failure of that device. During the past fifty years, the electrical and optical properties of defects, their generation, transport, clustering and reactions between them have been investigated intensively. Yet the development of semiconductor technology remains closely connected to the advances made in defect science and engineering. Compared to metals, defect control in silicon is significantly complicated by the open structure of its lattice. As a result, reactions between defects, even at room temperature, have become a central issue in defect engineering.
Book Synopsis Point Defects in Semiconductors II by : J. Bourgoin
Download or read book Point Defects in Semiconductors II written by J. Bourgoin and published by Springer. This book was released on 1983-05-01 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: In introductory solid-state physics texts we are introduced to the concept of a perfect crystalline solid with every atom in its proper place. This is a convenient first step in developing the concept of electronic band struc ture, and from it deducing the general electronic and optical properties of crystalline solids. However, for the student who does not proceed further, such an idealization can be grossly misleading. A perfect crystal does not exist. There are always defects. It was recognized very early in the study of solids that these defects often have a profound effect on the real physical properties of a solid. As a result, a major part of scientific research in solid-state physics has,' from the early studies of "color centers" in alkali halides to the present vigorous investigations of deep levels in semiconductors, been devoted to the study of defects. We now know that in actual fact, most of the interest ing and important properties of solids-electrical, optical, mechanical- are determined not so much by the properties of the perfect crystal as by its im perfections.
Book Synopsis Electron Paramagnetic Resonance Studies of Point Defects in AlGaN and SiC by : Xuan Thang Trinh
Download or read book Electron Paramagnetic Resonance Studies of Point Defects in AlGaN and SiC written by Xuan Thang Trinh and published by Linköping University Electronic Press. This book was released on 2015-05-12 with total page 36 pages. Available in PDF, EPUB and Kindle. Book excerpt: Point defects in semiconductor materials are known to have important influence on the performance of electronic devices. For defect control, knowledge on the model of defects and their properties is required. Information on defects, such as the symmetry and the localization of spins, is essential for identification of defects and understanding their electronic structure. Such information can be obtained from Electron Paramagnetic Resonance (EPR). In many cases, the energy levels of defects can be determined from photoexcitation EPR (photo-EPR) or temperature dependence of the EPR signal. The thesis contains six papers, focusing on the identification and electronic structure investigation of defects and impurities in AlxGa1-xN (x~0.7-1) and silicon carbide (SiC) using EPR in combination with other electrical characterizations and density functional theory calculations. The two first papers concern EPR studies of silicon (Si) in AlGaN alloys. Due to its direct and wide band gap which can be tailored from 3.4 eV for GaN to 6.2 eV for AlN, high-Al-content wurtzite AlxGa1-xN (x?0.7) has been considered as a promising material for fabrication of compact, high-efficiency and non-toxic deep ultraviolet light-emitting diodes (LEDs) and laser diodes (LDs) for replacing low-efficiency and toxic mercury lamps in water/air purification and sterilization. Si is commonly used for n-type doping in AlGaN and AlN, but the conductivity of Si-doped AlxGa1-xN was often reported to drop abruptly at high Al content (x>0.7) and the reason was often speculated to be due to either carrier compensation by other deep levels or Si itself when it transforms from a shallow donor to a DX (or negative-U) center which acts as an acceptor. In paper 1, we showed that Si already forms a stable DX center in AlxGa1-xN with x ~0.77. However, with the Fermi level locating only ~3 meV below the neutral charge state, Ed, Si still behaves as a shallow donor. Negligible carrier compensation by oxygen (O) in Al0.77Ga0.23N:Si layers was observed, suggesting that at such Al content, O does not seem to hinder the n-type doping in the material. In paper 2, we found the coexistence of two Si DX centers, the stable DX1 and the metastable DX2, in AlxGa1-xN for x?0.84. For the stable DX1 center, abrupt deepening of the energy level of the negative charge state DX–, EDX, which determines the ionization energy Ea of the Si donor, with increasing of the Al content for x?0.83 was observed. The dependence of Ea on the Al content in AlxGa1-xN:Si layers (0.79?x?1) was determined. The results explain the drastic decrease of the conductivity as often reported for AlxGa1-xN:Si in previous transport studies. For the metastable DX2 center, we found that the EDX level remains close to Ed for x=0.84÷1. SiC is a wide band-gap semiconductor having high-thermal conductivity, high breakdown field, and large saturated electron drift velocity which are essential properties for high-voltage and high-power devices. In paper 3, the identification of niobium (Nb) in 4Hand 6H-SiC grown by high-temperature chemical vapor deposition (CVD) by EPR and theoretical calculations is presented. We showed that the incorporated Nb formed asymmetric split-vacancy defect (NbSiVC) in which Nb locates in a divacancy, closer to the Si vacancy, and prefers only the hexagonal-hexagonal configuration. In papers 4 and 5, we present the identification and the electronic structure of the negative-U Z1/Z2 center in 4HSiC. The Z1/Z2 defect is known to be the most common deep level revealed by Deep Level Transient Spectroscopy (DLTS) in 4H-SiC epitaxial layers grown by CVD. The center is also known to be the lifetime killer in as-grown CVD material and, therefore, attracts much attention. Using high-doped n-type free-standing 4H-SiC layers irradiated with low-energy (250 keV) electrons, which mainly displace carbon atoms creating C vacancies (VC), C interstitials and their associated defects, it was possible to increase the irradiation dose and, hence, the defect concentration, allowing the application of EPR and DLTS on the same samples. In paper 4, using EPR, photo-EPR, DLTS and capacitance-voltage measurements, we showed that the Z1/Z2 center is related to the (2-|0) level of VC and its higher-lying levels Z1 and Z2 are related to the (-|0) levels of VC at the hexagonal (h) and quasi-cubic (k) sites, respectively. In paper 5, combining EPR and supercell calculations, the negatively charged VC at the k-site was identified. We obtained the excellent agreement in the energy levels of Z1/Z2 determined by DLTS and energy levels of VC calculated by supercell calculations and observed clear negative-U behaviors of the negatively charged VC at both k and h-sites by EPR measurements, consolidating our assignment of the Z1/Z2 levels to the negatively charged states of VC. In paper 6, we studied a defect related to displaced C atoms in n-type 4H-SiC irradiated by low-energy electrons. In irradiated layers, we observed an EPR center at room temperature. After annealing at temperatures in the range of 300-500 °C, this center transforms to a second configuration which is observed in darkness and can be changed back to the first configuration under illumination. Based on the observed 29Si and 13C hyperfine structures, two observed configurations of the EPR center were suggested to be related to different configurations of a carbon interstitial cluster. The annealing, bistable behaviors and energy levels of this EPR center are discussed.
Book Synopsis Exotic Nuclei (Iasen-2013) - Proceedings Of The First International African Symposium On Exotic Nuclei by : Yuri Erastovich Penionzhkevich
Download or read book Exotic Nuclei (Iasen-2013) - Proceedings Of The First International African Symposium On Exotic Nuclei written by Yuri Erastovich Penionzhkevich and published by World Scientific. This book was released on 2014-11-20 with total page 691 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a collection of talks presented at the First International African Symposium on Exotic Nuclei (IASEN-2013). The symposium was held at Cape Town, South Africa from 2 - 6 December 2013. The IASEN2013 was dedicated to the problems of producing and investigating nuclei far from the line of stability. The symposium was organized by two scientific centers: iThemba LABS, South Africa and the Joint Institute for Nuclear Research (Dubna).The main goal of the Symposium was to discuss the latest results on the production and study of the properties of the lightest to heaviest nuclei, as well as the plans for future joint investigations in the field of exotic nuclei. The talks were presented by the leading scientists in the field. Among the topics of the symposium were the following: production and study of properties of nuclei in extreme states, strongly deformed nuclei, highly excited and nuclei far from the line of stability as well as nuclei having large angular momenta. New results of the investigations are presented in this book. In particular, the latest results on the synthesis of new superheavy elements are also presented. At the Symposium were talks devoted to existing detecting devices and accelerators of exotic nuclei as well as to the future projects for the creation of similar set-ups.
Book Synopsis Point Defects in Solids by : Lawrence M. Slifkin
Download or read book Point Defects in Solids written by Lawrence M. Slifkin and published by Springer. This book was released on 1972 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 1 of Point Defects in Solids has as its major emphasis defects in ionic solids. Volume 2 now extends this emphasis to semiconductors. The first four chapters treat in some detail the creation, kinetic behavior, inter actions, and physical properties of both simple and composite defects in a variety of semiconducting systems. Also included, as in Vol. 1, are chapters on special topics, namely phonon-defect interactions and defects in organic crystals. Defect behavior in semiconductors has been a subject of considerable interest since the discovery some twenty-five years ago that fast neutron irradiation profoundly affected the electrical characteristics of germanium and silicon. Present-day interest has been stimulated by such semiconductor applications as solar cell power plants for space stations and satellites and semiconductor particle and y-ray detectors, since in both radiation damage can cause serious deterioration. Of even greater practical concern is the need to understand particle damage in order to capitalize upon the develop ing technique of ion implantation as a means of device fabrication. Although the periodic international conferences on radiation effects in semiconductors have served the valuable function of summarizing the extensive work being done in this field, these proceedings are much too detailed and lack the background discussion needed to make them useful to the novice.
Book Synopsis Advanced Calculations for Defects in Materials by : Audrius Alkauskas
Download or read book Advanced Calculations for Defects in Materials written by Audrius Alkauskas and published by John Wiley & Sons. This book was released on 2011-05-16 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 knowledgeable of past developments as well as current advances. In turn, they have selected respected scientists as chapter authors to provide an expert view of the latest advances. The result is a clear overview of the connections and boundaries between these methods, as well as the broad criteria determining the choice between them for a given problem. Readers will find various correction schemes for the supercell model, a description of alternatives by applying embedding techniques, as well as algorithmic improvements allowing the treatment of an ever larger number of atoms at a high level of sophistication.
Book Synopsis Dopants and Defects in Semiconductors by : Matthew D. McCluskey
Download or read book Dopants and Defects in Semiconductors written by Matthew D. McCluskey and published by CRC Press. This book was released on 2018-02-19 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: Praise for the First Edition "The book goes beyond the usual textbook in that it provides more specific examples of real-world defect physics ... an easy reading, broad introductory overview of the field" ―Materials Today "... well written, with clear, lucid explanations ..." ―Chemistry World This revised edition provides the most complete, up-to-date coverage of the fundamental knowledge of semiconductors, including a new chapter that expands on the latest technology and applications of semiconductors. In addition to inclusion of additional chapter problems and worked examples, it provides more detail on solid-state lighting (LEDs and laser diodes). The authors have achieved a unified overview of dopants and defects, offering a solid foundation for experimental methods and the theory of defects in semiconductors. Matthew D. McCluskey is a professor in the Department of Physics and Astronomy and Materials Science Program at Washington State University (WSU), Pullman, Washington. He received a Physics Ph.D. from the University of California (UC), Berkeley. Eugene E. Haller is a professor emeritus at the University of California, Berkeley, and a member of the National Academy of Engineering. He received a Ph.D. in Solid State and Applied Physics from the University of Basel, Switzerland.
Book Synopsis Wide-band-gap Semiconductors by : C.G. Van de Walle
Download or read book Wide-band-gap Semiconductors written by C.G. Van de Walle and published by Elsevier. This book was released on 2012-12-02 with total page 635 pages. Available in PDF, EPUB and Kindle. Book excerpt: Wide-band-gap semiconductors have been a research topic for many decades. However, it is only in recent years that the promise for technological applications came to be realized; simultaneously an upsurge of experimental and theoretical activity in the field has been witnessed. Semiconductors with wide band gaps exhibit unique electronic and optical properties. Their low intrinsic carrier concentrations and high breakdown voltage allow high-temperature and high-power applications (diamond, SiC etc.). The short wavelength of band-to-band transitions allows emission in the green, blue, or even UV region of the spectrum (ZnSe, GaN, etc.). In addition, many of these materials have favorable mechanical and thermal characteristics. These proceedings reflect the exciting progress made in this field. Successful p-type doping of ZnSe has recently led to the fabrication of blue-green injection lasers in ZnSe; applications of short-wavelength light-emitting devices range from color displays to optical storage. In SiC, advances in growth techniques for bulk as well as epitaxial material have made the commercial production of high-temperature and high-frequency devices possible. For GaN, refinement of growth procedures and new ways of obtaining doped material have resulted in blue-light-emitting diodes and opened the road to the development of laser diodes. Finally, while the quality of artificial diamond is not yet high enough for electronic applications, the promise it holds in terms of unique material properties is encouraging intense activity in the field. This volume contains contributions from recognized experts presently working on different material systems in the field. The papers cover the theoretical, experimental and application-oriented aspects of this exciting topic.
Book Synopsis Nuclear Methods in Semiconductor Physics by : G. Langouche
Download or read book Nuclear Methods in Semiconductor Physics written by G. Langouche and published by Elsevier. This book was released on 1992-04-01 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two areas of experimental research explored in this volume are: the Hyperfine Interaction Methods, focusing on the microscopic configuration surrounding radioactive probe atoms in semiconductors, and Ion Beam Techniques using scattering, energy loss and channeling properties of highly energetic ions penetrating in semiconductors. A large area of interesting local defect studies is discussed. Less commonly used methods in the semiconductor field, such as nuclear magnetic resonance, electron nuclear double resonance, muon spin resonance and positron annihilation, are also reviewed. The broad scope of the contributions clearly demonstrates the growing interest in the use of sometimes fairly unconventional nuclear methods in the field of semiconductor physics.
Book Synopsis Color Centers in Semiconductors for Quantum Applications by : Joel Davidsson
Download or read book Color Centers in Semiconductors for Quantum Applications written by Joel Davidsson and published by Linköping University Electronic Press. This book was released on 2021-02-08 with total page 72 pages. Available in PDF, EPUB and Kindle. Book excerpt: Point defects in semiconductors have been and will continue to be relevant for applications. Shallow defects realize transistors, which power the modern age of information, and in the not-too-distant future, deep-level defects could provide the foundation for a revolution in quantum information processing. Deep-level defects (in particular color centers) are also of interest for other applications such as a single photon emitter, especially one that emits at 1550 nm, which is the optimal frequency for long-range communication via fiber optics. First-principle calculations can predict the energies and optical properties of point defects. I performed extensive convergence tests for magneto-optical properties, such as zero phonon lines, hyperfine coupling parameters, and zero-field splitting for the four different configurations of the divacancy in 4H-SiC. Comparing the converged results with experimental measurements, a clear identification of the different configurations was made. With this approach, I also identified all configurations for the silicon vacancy in 4H-SiC as well as the divacancy and silicon vacancy in 6H-SiC. The same method was further used to identify two additional configurations belonging to the divacancy present in a 3C stacking fault inclusion in 4H-SiC. I extended the calculated properties to include the transition dipole moment which provides the polarization, intensity, and lifetime of the zero phonon lines. When calculating the transition dipole moment, I show that it is crucial to include the self-consistent change of the electronic orbitals in the excited state due to the geometry relaxation. I tested the method on the divacancy in 4H-SiC, further strengthening the previous identification and providing accurate photoluminescence intensities and lifetimes. Finding stable point defects with the right properties for a given application is a challenging task. Due to the vast number of possible point defects present in bulk semiconductor materials, I designed and implemented a collection of automatic workflows to systematically investigate any point defects. This collection is called ADAQ (Automatic Defect Analysis and Qualification) and automates every step of the theoretical process, from creating defects to predicting their properties. Using ADAQ, I screened about 8000 intrinsic point defect clusters in 4H-SiC. This thesis presents an overview of the formation energy and the most relevant optical properties for these single and double point defects. These results show great promise for finding new color centers suitable for various quantum applications.
