Springer Theses

Vibrational Properties of Defective Oxides and 2D Nanolattices

Insights from First-Principles Simulations

Authors: Scalise, Emilio

  • 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 on Density Functional Theory and Density Functional Perturbation Theory
  • Provides step-by-step guide to calculating vibrational properties of novel materials and their correlation with various experimental spectroscopic techniques
  • Includes an overview, novel results and prospects for silicene
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  • ISBN 978-3-319-07182-4
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  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-3-319-07181-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for USA
  • Customers within the U.S. and Canada please contact Customer Service at 1-800-777-4643, Latin America please contact us at +1-212-460-1500 (Weekdays 8:30am – 5:30pm ET) to place your order.
  • Due: October 27, 2016
  • ISBN 978-3-319-36141-3
  • Free shipping for individuals worldwide
Rent the ebook  
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About this book

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.

Table of contents (6 chapters)

  • Introduction

    Scalise, Emilio

    Pages 1-8

  • Theoretical Methods

    Scalise, Emilio

    Pages 9-34

  • First-Principles Modelling of Vibrational Modes in Defective Oxides and Correlation with IETS

    Scalise, Emilio

    Pages 35-60

  • Vibrational Properties of Silicene and Germanene

    Scalise, Emilio

    Pages 61-93

  • Interaction of Silicene with Non-Metallic Layered Templates

    Scalise, Emilio

    Pages 95-114

Buy this book

eBook $99.00
price for USA (gross)
  • ISBN 978-3-319-07182-4
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-3-319-07181-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for USA
  • Customers within the U.S. and Canada please contact Customer Service at 1-800-777-4643, Latin America please contact us at +1-212-460-1500 (Weekdays 8:30am – 5:30pm ET) to place your order.
  • Due: October 27, 2016
  • ISBN 978-3-319-36141-3
  • Free shipping for individuals worldwide
Rent the ebook  
  • Rental duration: 1 or 6 month
  • low-cost access
  • online reader with highlighting and note-making option
  • can be used across all devices
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Bibliographic Information

Bibliographic Information
Book Title
Vibrational Properties of Defective Oxides and 2D Nanolattices
Book Subtitle
Insights from First-Principles Simulations
Authors
Series Title
Springer Theses
Copyright
2014
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing Switzerland
eBook ISBN
978-3-319-07182-4
DOI
10.1007/978-3-319-07182-4
Hardcover ISBN
978-3-319-07181-7
Softcover ISBN
978-3-319-36141-3
Series ISSN
2190-5053
Edition Number
1
Number of Pages
XVIII, 143
Number of Illustrations and Tables
54 b/w illustrations, 36 illustrations in colour
Topics