Modeling Charged Defects And Defects Levels In Semiconductors And Oxides With Dft
Download Modeling Charged Defects And Defects Levels In Semiconductors And Oxides With Dft full books in PDF, epub, and Kindle. Read online free Modeling Charged Defects And Defects Levels In Semiconductors And Oxides With Dft ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Author | : Johann-Martin Spaeth |
Publisher | : Springer Science & Business Media |
Total Pages | : 508 |
Release | : 2003-01-22 |
Genre | : Technology & Engineering |
ISBN | : 9783540426950 |
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.
Author | : Audrius Alkauskas |
Publisher | : John Wiley & Sons |
Total Pages | : 374 |
Release | : 2011-05-16 |
Genre | : Science |
ISBN | : 3527638539 |
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.
Author | : Joel Davidsson |
Publisher | : Linköping University Electronic Press |
Total Pages | : 72 |
Release | : 2021-02-08 |
Genre | : Electronic books |
ISBN | : 9179297307 |
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.
Author | : |
Publisher | : Academic Press |
Total Pages | : 369 |
Release | : 2013-05-18 |
Genre | : Technology & Engineering |
ISBN | : 0123965454 |
Semiconductors and Semimetals has distinguished itself through the careful selection of well-known authors, editors, and contributors. Originally widely known as the "Willardson and Beer" Series, it has succeeded in publishing numerous landmark volumes and chapters. The series publishes timely, highly relevant volumes intended for long-term impact and reflecting the truly interdisciplinary nature of the field. 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 academia, scientific laboratories and modern industry. - Written and edited by internationally renowned experts - Relevant to a wide readership: physicists, chemists, materials scientists, and device engineers in academia, scientific laboratories and modern industry
Author | : |
Publisher | : Elsevier |
Total Pages | : 677 |
Release | : 2001-05-21 |
Genre | : Science |
ISBN | : 0080538312 |
The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from 'simple' rocksalt materials such as MgO through to complex transition metal oxides with different valencies.
Author | : D. Misra |
Publisher | : The Electrochemical Society |
Total Pages | : 411 |
Release | : |
Genre | : |
ISBN | : 1607688182 |
Author | : David A. Drabold |
Publisher | : Springer Science & Business Media |
Total Pages | : 320 |
Release | : 2007 |
Genre | : Science |
ISBN | : |
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.
Author | : Hideo Hosono |
Publisher | : John Wiley & Sons |
Total Pages | : 644 |
Release | : 2022-05-31 |
Genre | : Technology & Engineering |
ISBN | : 1119715571 |
AMORPHOUS OXIDE SEMICONDUCTORS A singular resource on amorphous oxide semiconductors edited by a world-recognized pioneer in the field In Amorphous Oxide Semiconductors: IGZO and Related Materials for Display and Memory, the Editors deliver a comprehensive account of the current status of—and latest developments in—transparent oxide semiconductor technology. With contributions from leading international researchers and exponents in the field, this edited volume covers physical fundamentals, thin-film transistor applications, processing, circuits and device simulation, display and memory applications, and new materials relevant to amorphous oxide semiconductors. The book makes extensive use of structural diagrams of materials, energy level and energy band diagrams, device structure illustrations, and graphs of device transfer characteristics, photographs and micrographs to help illustrate the concepts discussed within. It also includes: A thorough introduction to amorphous oxide semiconductors, including discussions of commercial demand, common challenges faced during their manufacture, and materials design Comprehensive explorations of the electronic structure of amorphous oxide semiconductors, structural randomness, doping limits, and defects Practical discussions of amorphous oxide semiconductor processing, including oxide materials and interfaces for application and solution-process metal oxide semiconductors for flexible electronics In-depth examinations of thin film transistors (TFTs), including the trade-off relationship between mobility and reliability in oxide TFTs Perfect for practicing scientists, engineers, and device technologists working with transparent semiconductor systems, Amorphous Oxide Semiconductors: IGZO and Related Materials for Display and Memory will also earn a place in the libraries of students studying oxides and other non-classical and innovative semiconductor devices. WILEY SID Series in Display Technology Series Editor: Ian Sage, Abelian Services, Malvern, UK The Society for Information Display (SID) is an international society which has the aim of encouraging the development of all aspects of the field of information display. Complementary to the aims of the society, the Wiley-SID series is intended to explain the latest developments in information display technology at a professional level. The broad scope of the series addresses all facets of information displays from technical aspects through systems and prototypes to standards and ergonomics.
Author | : Hideo Hosono |
Publisher | : John Wiley & Sons |
Total Pages | : 644 |
Release | : 2022-05-17 |
Genre | : Technology & Engineering |
ISBN | : 1119715652 |
AMORPHOUS OXIDE SEMICONDUCTORS A singular resource on amorphous oxide semiconductors edited by a world-recognized pioneer in the field In Amorphous Oxide Semiconductors: IGZO and Related Materials for Display and Memory, the Editors deliver a comprehensive account of the current status of—and latest developments in—transparent oxide semiconductor technology. With contributions from leading international researchers and exponents in the field, this edited volume covers physical fundamentals, thin-film transistor applications, processing, circuits and device simulation, display and memory applications, and new materials relevant to amorphous oxide semiconductors. The book makes extensive use of structural diagrams of materials, energy level and energy band diagrams, device structure illustrations, and graphs of device transfer characteristics, photographs and micrographs to help illustrate the concepts discussed within. It also includes: A thorough introduction to amorphous oxide semiconductors, including discussions of commercial demand, common challenges faced during their manufacture, and materials design Comprehensive explorations of the electronic structure of amorphous oxide semiconductors, structural randomness, doping limits, and defects Practical discussions of amorphous oxide semiconductor processing, including oxide materials and interfaces for application and solution-process metal oxide semiconductors for flexible electronics In-depth examinations of thin film transistors (TFTs), including the trade-off relationship between mobility and reliability in oxide TFTs Perfect for practicing scientists, engineers, and device technologists working with transparent semiconductor systems, Amorphous Oxide Semiconductors: IGZO and Related Materials for Display and Memory will also earn a place in the libraries of students studying oxides and other non-classical and innovative semiconductor devices. WILEY SID Series in Display Technology Series Editor: Ian Sage, Abelian Services, Malvern, UK The Society for Information Display (SID) is an international society which has the aim of encouraging the development of all aspects of the field of information display. Complementary to the aims of the society, the Wiley-SID series is intended to explain the latest developments in information display technology at a professional level. The broad scope of the series addresses all facets of information displays from technical aspects through systems and prototypes to standards and ergonomics.
Author | : Marília Caldas |
Publisher | : American Institute of Physics |
Total Pages | : 586 |
Release | : 2010-02-24 |
Genre | : Technology & Engineering |
ISBN | : 9780735407367 |
The conference covered the current and future direction for research in the area of physics of semiconductors, such as growth, sufaces, and interfaces, defects and impurities, wide-band-gap semiconductors, molecular systems, and organic semiconductors, and others.