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First-Principles Prediction of Phase Stability of Electronic Materials

First-Principles Prediction of Phase Stability of Electronic Materials


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About the Book

Master's Thesis from the year 2013 in the subject Physics - Other, grade: 1,5, Technical University of Berlin (Fritz-Haber-Institut der Max-Planck-Gesellschaft), language: English, abstract: Mit der experimentellen Entdeckung der einzigartigen elektronischen Struktur von Graphen und der daraus folgenden hohen Elektronenmobilität beginnt eine neue Ära, deren Auswirkung nicht nur für die Physik und Nanoelektronik von Bedeutung sind. Im Gegensatz zu anderen Herstellungsverfahren hat die Graphitisierung der Polflächen von Siliziumkarbid (SiC) den wesentlichen Vorteil, dass es große Graphenlagen direkt auf einem Halbleiter bereitstellt. Vor diesem Hintergrund wird dieser Ansatz aktiv von vielen Forschungsgruppen wegen der Eignung für neuartige elektronische Geräte verfolgt. Da Graphen ein zweidimensionaler Kristall ist, muss seine Umgebung jedoch sorgfältig untersucht werden. Die höchste Ladungsträgermobilität wurde bisher für freistehendes Graphen erreicht. [...] Diese Arbeit zielt darauf ab, einen Überblick über die unterschiedlichen Konfigurationen auf dieser Oberfläche zu geben und Informationen über die Schnittstelle zwischen Graphen und SiC mit Hilfe von ab initio-Rechnungen zu erhalten. Hiermit lassen sich Strukturmodelle verifizieren und klare Aussagen über die Stabilität aller Konfigurationen vornehmen. Zu Beginn wird der theoretische Hintergrund für das weitere Verständnis vermittelt. Darauf folgt eine ausführliche Untersuchung der Diamanten-Graphit-Koexistenz, um das Stabilitätsverhalten im Kohlenstofflimit zu verstehen, welches entscheidend für das Wachstum von Graphen ist. Es wird der Beweis erbracht, dass trotz des individuellen Charakters der Graphit- und Diamantbindungen, DFT und das Finite Displacement-Verfahren zahlreiche Eigenschaften beider Phasen in qualitativer und quantitativer Übereinstimmung mit experimentellen Daten liefern. Im Anschluss wird demonstriert, dass ab initio-Rechnungen auch in Hinblick auf die Vorhersage der Stabilität von Oberflä


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Product Details
  • ISBN-13: 9783656918677
  • Publisher: Grin Verlag
  • Publisher Imprint: Grin Verlag
  • Height: 210 mm
  • No of Pages: 168
  • Spine Width: 10 mm
  • Width: 148 mm
  • ISBN-10: 3656918678
  • Publisher Date: 19 Mar 2015
  • Binding: Paperback
  • Language: English
  • Returnable: N
  • Weight: 281 gr


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