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Author: Publisher: ISBN: Category : Languages : en Pages : 11
Book Description
Atomistic simulation of a vacancy-assisted dopant diffusion in silicon needs details of the dopant-vacancy interaction, i.e., the potential as a functional of dopant-vacancy separations. In this paper, the authors present a detailed study on the energetics of As-vacancy reaction in silicon and the lattice distortions surrounding the As-vacancy defect by using an ab initio plane wave pseudopotential method and the density functional theory (DFT). A potential-energy diagram as a function of As-vacancy separation is provided, which can be used in the atomistic diffusion simulations. The authors also calculate the binding energy and the formation energy of different complexes such as AsV, As2V and AsV2 (V represents vacancy). They find that the stable configuration of As2V is As-V-As, while the stable configuration of AsV2 is As-V-V. The nature of the binding between As and vacancy is explained from the lattice distortions and the change of chemical bond configuration introduced by the As-vacancy complex.
Author: Publisher: ISBN: Category : Languages : en Pages : 11
Book Description
Atomistic simulation of a vacancy-assisted dopant diffusion in silicon needs details of the dopant-vacancy interaction, i.e., the potential as a functional of dopant-vacancy separations. In this paper, the authors present a detailed study on the energetics of As-vacancy reaction in silicon and the lattice distortions surrounding the As-vacancy defect by using an ab initio plane wave pseudopotential method and the density functional theory (DFT). A potential-energy diagram as a function of As-vacancy separation is provided, which can be used in the atomistic diffusion simulations. The authors also calculate the binding energy and the formation energy of different complexes such as AsV, As2V and AsV2 (V represents vacancy). They find that the stable configuration of As2V is As-V-As, while the stable configuration of AsV2 is As-V-V. The nature of the binding between As and vacancy is explained from the lattice distortions and the change of chemical bond configuration introduced by the As-vacancy complex.
Author: Jarek Dabrowski Publisher: World Scientific ISBN: 9789810232863 Category : Science Languages : en Pages : 580
Book Description
Silicon, the basic material for a multibillion-dollar industry, is the most widely researched and applied semiconductor, and its surfaces are the most thoroughly studied of all semiconductor surfaces. Silicon Surfaces and Formation of Interfaces may be used as an introduction to graduate-level physics and chemical physics. Moreover, it gives a specialized and comprehensive description of the most common faces of silicon crystals as well as their interaction with adsorbates and overlayers. This knowledge is presented in a systematic and easy-to-follow way. Discussion of each system is preceded by a brief overview which categorizes the features and physical mechanisms before the details are presented. The literature is easily available, and the references am numerous and organized in tables, allowing a search without the need to browse through the text. Though this volume focuses on a scientific understanding of physics on the atomistic and mesoscopic levels, it also highlights existing and potential links between basic research in surface science and applications in the silicon industry. It will be valuable to anyone writing a paper, thesis, or proposal in the field of silicon surfaces.
Author: Robert Hull Publisher: IET ISBN: 9780852969335 Category : Electronic books Languages : en Pages : 1054
Book Description
A unique and well-organized reference, this book provides illuminating data, distinctive insight and expert guidance on silicon properties.
Author: Peter Pichler Publisher: Springer Science & Business Media ISBN: 3709105978 Category : Technology & Engineering Languages : en Pages : 576
Book Description
This book contains the first comprehensive review of intrinsic point defects, impurities and their complexes in silicon. Besides compiling the structures, energetic properties, identified electrical levels and spectroscopic signatures, and the diffusion behaviour from investigations, it gives a comprehensive introduction into the relevant fundamental concepts.
Author: Gudrun Kissinger Publisher: CRC Press ISBN: 1466586648 Category : Science Languages : en Pages : 436
Book Description
Despite the vast knowledge accumulated on silicon, germanium, and their alloys, these materials still demand research, eminently in view of the improvement of knowledge on silicon–germanium alloys and the potentialities of silicon as a substrate for high-efficiency solar cells and for compound semiconductors and the ongoing development of nanodevices based on nanowires and nanodots. Silicon, Germanium, and Their Alloys: Growth, Defects, Impurities, and Nanocrystals covers the entire spectrum of R&D activities in silicon, germanium, and their alloys, presenting the latest achievements in the field of crystal growth, point defects, extended defects, and impurities of silicon and germanium nanocrystals. World-recognized experts are the authors of the book’s chapters, which span bulk, thin film, and nanostructured materials growth and characterization problems, theoretical modeling, crystal defects, diffusion, and issues of key applicative value, including chemical etching as a defect delineation technique, the spectroscopic analysis of impurities, and the use of devices as tools for the measurement of materials quality.
Author: 黃新祥 Publisher: Open Dissertation Press ISBN: 9781374752832 Category : Languages : en Pages :
Book Description
This dissertation, "Ab Initio Calculations of Silicon Clusters" by 黃新祥, Sun-cheung, Wong, was obtained from The University of Hong Kong (Pokfulam, Hong Kong) and is being sold pursuant to Creative Commons: Attribution 3.0 Hong Kong License. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation. All rights not granted by the above license are retained by the author. DOI: 10.5353/th_b3122197 Subjects: Electronic structure Cluster analysis Solid state physics - Mathematical models
Author: Petr Carsky Publisher: Springer Science & Business Media ISBN: 3642931405 Category : Science Languages : en Pages : 256
Book Description
Until recently quantum chemical ab initio calculations were re stricted to atoms and very small molecules. As late as in 1960 Allen l and Karo stated : "Almost all of our ab initio experience derives from diatomic LCAO calculations ••• N and we have found in the litera ture "approximately eighty calculations, three-fourths of which are for diatomic molecules ••• There are approximately twenty ab initio calculations for molecules with more than two atoms, but there is a decided dividing line between the existing diatomic and polyatomic wave functions. Confidence in the satisfactory evaluation of the many -center two-electron integrals is very much less than for the diatom ic case". Among the noted twenty calculations, SiH was the largest 4 molecule treated. In most cases a minimal basis set was used and the many-center two-electron integrals were calculated in an approximate way. Under these circumstances the ab initio calculations could hard ly provide useful chemical information. It is therefore no wonder that the dominating role in the field of chemical applications was played by semiempirical and empirical methods. The situation changed essentially in the next decade. The problem of many-center integrals was solved, efficient and sophisticated computer programs were devel oped, basis sets suitable for a given type of problem were suggested, and, meanwhile, a considerable amount of results has been accumulated which serve as a valuable comparative material. The progress was of course inseparable from the development and availability of computers.
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Author: C. S. Murthy
Author: Jarek Dabrowski
Author: Takao Abe
Author: Robert Hull
Author: Peter Pichler
Author: Gudrun Kissinger
Author: Wesley J. Fabella
Author: 黃新祥
Author: Petr Carsky