Au atomic wires on silicon: spin order and phase transitions in low-dimensional systems / Christian Braun ; [Promotionskommission Vorsitzender: Prof. Dr. Jörg Lindner (Universität Paderborn), Erstgutachter: Prof. Dr. Wolf Gero Schmidt (Universität Paderborn), Zweitgutachter: Prof. Dr. Simone Sanna (Universität Gießen), Vertreter des Mittelbaus: Dr. Matthias Reichelt (Universität Paderborn)]. Paderborn, 2021
Inhalt
- Dedication
- Acknowledgements
- Abstract
- Contents
- Notation
- Introduction
- Theory
- A Brief Introduction to Luttinger Liquid Theory
- Peierls Instability
- The Mermin-Wagner Theorem
- Nosé-Hoover Thermostat
- Self-Assembled Au Atomic Wires on Vicinal Si(111) Surfaces
- Electronic Properties of Clean and Oxidized Si(hhk)-Au Surfaces
- Influence of Oxygen Adsorption on the Conductivity of Si(553)-Au and Si(557)-Au
- Structural Changes Induced by Oxygen Adsorption
- Transport Properties of the Clean and Oxygen-Adsorbed Surfaces
- Adsorption Sites of Molecular Oxygen
- Band-Structure Changes Induced by Oxygen Adsorption
- Analysis of the Transport Data
- Probing Quasi-1D Electronic Excitation Spectra by DFT-Aided Plasmon Spectroscopy
- Low-Temperature Structure of Si(553)-Au
- Structure Determination
- Influence of the Exchange-Correlation Functional on the Stability
- Comparison with the Experiment
- Transferability of the Rehybridized Model to Si(557)-Au
- Phase Transition of Si(553)-Au
- A Transition Scenario Analyzed by Total-Energy Calculations
- Ab Initio Molecular Dynamics Simulation
- Comparison with Experimental Results
- Conclusion and Outlook
- Appendix Molecular Dynamics Simulations
- Bibliography
- List of Figures
- List of Tables
- List of Publications