1.

Record Nr.

UNINA9910300400303321

Autore

Scalise Emilio

Titolo

Vibrational Properties of Defective Oxides and 2D Nanolattices : Insights from First-Principles Simulations / / by Emilio Scalise

Pubbl/distr/stampa

Cham : , : Springer International Publishing : , : Imprint : Springer, , 2014

ISBN

3-319-07182-3

Edizione

[1st ed. 2014.]

Descrizione fisica

1 online resource (157 p.)

Collana

Springer Theses, Recognizing Outstanding Ph.D. Research, , 2190-5053

Disciplina

620.5

Soggetti

Semiconductors

Optical materials

Electronics - Materials

Mathematical physics

Electronic circuits

Surfaces (Physics)

Interfaces (Physical sciences)

Thin films

Optical and Electronic Materials

Theoretical, Mathematical and Computational Physics

Electronic Circuits and Devices

Surface and Interface Science, Thin Films

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

"Doctoral Thesis accepted by KU Leuven, Belgium."

Nota di bibliografia

Includes bibliographical references at the end of each chapters.

Nota di contenuto

Introduction -- Theoretical Methods -- First-Principles Modelling of Vibrational Modes in Defective Oxides -- Vibrational Properties of Silicene and Germanene -- Interaction of Silicene with Non-Metallic Layered Templates -- Conclusions and Perspectives -- Appendix for Experimental Techniques.

Sommario/riassunto

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.