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Modeling Charged Defects and Defects Levels in Semiconductors and Oxides with DFT

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Release : 2015
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Kind : eBook
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Book Synopsis Modeling Charged Defects and Defects Levels in Semiconductors and Oxides with DFT by :

Download or read book Modeling Charged Defects and Defects Levels in Semiconductors and Oxides with DFT written by . This book was released on 2015. Available in PDF, EPUB and Kindle. Book excerpt:

Charged Semiconductor Defects

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Release : 2008-11-14
Genre : Science
Kind : eBook
Book Rating : 593/5 ( reviews)

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Book Synopsis Charged Semiconductor Defects by : Edmund G. Seebauer

Download or read book Charged Semiconductor Defects written by Edmund G. Seebauer. This book was released on 2008-11-14. Available in PDF, EPUB and Kindle. Book excerpt: Defects in semiconductors have been studied for many years, in many cases with a view toward controlling their behaviour through various forms of “defect engineering”. For example, in the bulk, charging significantly affects the total concentration of defects that are available to mediate phenomena such as solid-state diffusion. Surface defects play an important role in mediating surface mass transport during high temperature processing steps such as epitaxial film deposition, diffusional smoothing in reflow, and nanostructure formation in memory device fabrication. “Charged Defects in Semiconductors” details the current state of knowledge regarding the properties of the ionized defects that can affect the behaviour of advanced transistors, photo-active devices, catalysts, and sensors. Features: group IV, III-V, and oxide semiconductors; intrinsic and extrinsic defects; and, point defects, as well as defect pairs, complexes and clusters.

Point Defects in Semiconductors and Insulators

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Release : 2003-01-22
Genre : Technology & Engineering
Kind : eBook
Book Rating : 950/5 ( reviews)

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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. This book was released on 2003-01-22. 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.

Advanced Calculations for Defects in Materials

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Release : 2011-05-16
Genre : Science
Kind : eBook
Book Rating : 539/5 ( reviews)

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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. This book was released on 2011-05-16. 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.

Multiscale Modeling in Semiconductors

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Release : 2017
Genre :
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Book Synopsis Multiscale Modeling in Semiconductors by : Yu Jin

Download or read book Multiscale Modeling in Semiconductors written by Yu Jin. This book was released on 2017. Available in PDF, EPUB and Kindle. Book excerpt: This work is aimed to build a model framework to predict device performance based on the formation of defects in order to meet the demand for higher-performance integrated circuits and solar cells. We use a multiscale modeling technique to investigate the properties of some important defects. Those defects play important roles in the study of precipitation, diffusion and recombination in semiconductors. Ab initio (density functional theory, DFT) calculations are used to extract critical parameters at atomic scale and to verify key mechanisms, while continuum modeling is conducted to describe the defects’ kinetics and interactions at device scale. Combining process/device simulation and the fundamental understanding at atomic scale, we can gain insight about how process conditions can affect defect formation and therefore device performance. Thus, this multiscale modeling framework can provide useful guidance in performance optimization and cost reduction. Based on this approach, we have developed models for carbon clustering and associated metal gettering, which can be used to reduce noise in advanced silicon CMOS image sensor. We have also advanced models for oxygen precipitation in silicon by considering morphology evolution, dynamic interactions with point defects, and doping dependency. The carbon and oxygen precipitation processes are modeled using the reduced moment-based model (RKPM) with improved computation efficiency. The impact of charged grain boundaries on device performance, as well as electron beam induced current (EBIC) imaging measurement, of CdTe solar cell has been investigated in detail. Based on our simulation results, we propose that passivation with accumulated grain boundaries will be more beneficial to the performance of CdTe solar cell, while depleted grain boundaries generally degrade performance. We also conduct a series of DFT calculations to investigate the light induced degradation (LID) related defects in silicon solar cell. Based on these calculations, a comprehensive model for light induced degradation is proposed which matches experimental observation under full range of conditions.

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