Sökning: "Tight-binding"
Visar resultat 1 - 5 av 48 avhandlingar innehållade ordet Tight-binding.
1. Tight-Binding Modelling of Deep Eutectic Solvent-Based Lithium Battery Electrolytes
Sammanfattning : In recent years, there has been a growing interest in utilizing liquid electrolytes such as deep eutectic solvents (DES) as electrolytes for lithium batteries, owing to their numerous advantageous properties, including ease of preparation, tunability, wide electrochemical stability windows, and low vapor pressures. However, an aspect that remains poorly understood is the intricate relationship between the local structural symmetry, entropy, and the macroscopic properties of DES electrolytes. LÄS MER
2. Tight-binding calculations of electron scattering rates in semiconducting zigzag carbon nanotubes
Sammanfattning : The technological interest in a material depends very much on its electrical, magnetic, optical and/or mechanical properties. In carbon nanotubes the atoms form a cylindrical structure with a diameter of the order 1 nm, but the nanotubes can be up to several hundred micrometers in length. LÄS MER
3. Theoretical studies on one-, two- and three-dimensional carbon structures
Sammanfattning : This thesis deals with electronic structure calculations in large carbon based materials, Especially graphite like structures have been studied. For this the tight binding method together with more sophisticated quantum chemical methods has been utilised. LÄS MER
4. Topological band theory and Majorana fermions : With focus on self-consistent lattice models
Sammanfattning : One of the most central concepts in condensed matter physics is the electronic band structure. Although band theory was established more than 80 years ago, recent developments have led to new insights that are formulated in the framework of topological band theory. LÄS MER
5. Quantum Transport Theory in Graphene
Sammanfattning : In this thesis, we focus on different aspects of electron transport in nanostructured graphene (such as graphene nanoribbons). Wedevelop and implement numerical methods to study quantum coherent electron transport on an atomistic level, complemented by analytical calculations based on the Dirac approximation valid close to the points $\vec{K}$ and $\vec{K}^\prime$ in the graphene Brillouin zone. LÄS MER