Kinetic Monte Carlo simulation of simultaneous electron and oxygen vacancy movement in ferroelectric HfO2: Bachelor’s Thesis for the Attainment of the Degree Bachelor of Science at Munich University of Applied Science

The aim of this thesis was to improve a kinetic Monte Carlo simulation of electron movement in a dielectric by including the movement of oxygen vacancies. Starting from the code implemented by G. Jegert during his PhD study, new features has been added and a few adaptions to the new point of interes...

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1. Verfasser: Schwermer, Paul Herbert (VerfasserIn)
Format: Abschlussarbeit Elektronisch E-Book
Sprache:English
Veröffentlicht: München Hochschule für Angewandte Wissenschaften München Submission Date: 02.02.2023
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Zusammenfassung:The aim of this thesis was to improve a kinetic Monte Carlo simulation of electron movement in a dielectric by including the movement of oxygen vacancies. Starting from the code implemented by G. Jegert during his PhD study, new features has been added and a few adaptions to the new point of interest were made. New defect types, tunneling assisted Poole-Frenkel effect, two interface layers and the movement of oxygen vacancies were added among various smaller changes. The final time depending simulation with a constant bias electric field dealt with the question on the influence of the conduction band offset on the spatial distribution and the types of the defects. It was shown that for a low offset the defects are mainly neutral, while a higher offset led to a higher positive charge, where the majority of the defects were charged double positive. These positive charged vacancies moved to the cathode where there was an accumulation of defects, while the bulk of the dielectric remains almost defect free. Since the charged defects inhibit the changing of the polarization of the dielectric the offset can be adjusted rather low, so that the majority of the defects is neutral. At the same time a lower offset leads to a higher leakage current, since the energetic barrier for Schottky emission is lowered.
Beschreibung:1 Online-Ressource (I-XII, 40, XIII Seiten) Illustrationen, Diagramme

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