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Titlebook: Vibrational Properties of Defective Oxides and 2D Nanolattices; Insights from First- Emilio Scalise Book 2014 Springer International Publis

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书目名称Vibrational Properties of Defective Oxides and 2D Nanolattices
副标题Insights from First-
编辑Emilio Scalise
视频video
概述Nominated as an outstanding Ph.D. thesis by KU Leuven, Belgium.Numerous examples show how first-principles modelling can be used to support experiments.Contains a complete and self-contained chapter o
丛书名称Springer Theses
图书封面Titlebook: Vibrational Properties of Defective Oxides and 2D Nanolattices; Insights from First- Emilio Scalise Book 2014 Springer International Publis
描述.Ge and III–V compounds, semiconductors with high carrier mobilities, are candidates to replace Si as the channel in MOS devices. 2D materials – like graphene and MoS_2 – are also envisioned to replace Si in the future..This thesis is devoted to the first-principles modeling of the vibrational properties of these novel channel materials..The first part of the thesis focuses on the vibrational properties of various oxides on Ge, making it possible to identify the vibrational signature of specific defects which could hamper the proper functioning of MOSFETs..The second part of the thesis reports on the electronic and vibrational properties of novel 2D materials like silicene and germanene, the Si and Ge 2D counterparts of graphene. The interaction of these 2D materials with metallic and non-metallic substrates is investigated. It was predicted, for the first time, and later experimentally confirmed, that silicene could be grown on a non-metallic template like MoS_2, a breakthrough that could open the door to the possible use of silicene in future nanoelectronic devices..
出版日期Book 2014
关键词Defective Oxides; Density Functional Perturbation Theory; First-principles Modelling of Vibrational Pr
版次1
doihttps://doi.org/10.1007/978-3-319-07182-4
isbn_softcover978-3-319-36141-3
isbn_ebook978-3-319-07182-4Series ISSN 2190-5053 Series E-ISSN 2190-5061
issn_series 2190-5053
copyrightSpringer International Publishing Switzerland 2014
The information of publication is updating

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Theoretical Methods, Solving this equation is one of the central problems in solid states physics and quantum chemistry since they are potentially able to provide some fundamental understanding as well as predict, in some instances, the properties of atoms, molecules and solids, enabling to describe a large variety of experimental observations.
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First-Principles Modelling of Vibrational Modes in Defective Oxides and Correlation with IETS,The evolution of the electronic devices was driven for many years by the scaling of the CMOS transistors. Recently, strong improvements of the CMOS technology together with the introduction of new materials, i.e. high-. and low-. dielectrics, permitted Moore’s law to stay alive.
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Conclusions and Perspectives,In this thesis, the vibrational properties of high-mobility semiconductor/high-. dielectric interfaces, as well as those of 2D nanolattices have been investigated by means of a first-principles approach.
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