Sökning: "Tight binding"

Visar resultat 1 - 5 av 99 avhandlingar innehållade orden Tight binding.

1. 1. Tight-Binding Modelling of Deep Eutectic Solvent-Based Lithium Battery Electrolytes

   Författare :Mirna Alhanash; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; molecular dynamics; xTB; tight-binding; deep eutectic solvent; electrolyte.;

   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

3. 2. Tight-binding calculations of electron scattering rates in semiconducting zigzag carbon nanotubes

   Författare :Kannan Thiagarajan; Ulf Lindefelt; Hans-Erik Nilsson; Sven Öberg; Mittuniversitetet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Tight-binding; carbon nanotubes; electron-phonon scattering; backscattering; forward scattering; Semiconductor physics; Halvledarfysik;

   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

4. 3. Theoretical studies on one-, two- and three-dimensional carbon structures

   Författare :Mattias Hjort; Linköpings universitet; []
   Nyckelord :Tight binding; Hückel; Fullerenes; graphite; Anderson localization; transfer matrix;

   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

5. 4. Topological band theory and Majorana fermions : With focus on self-consistent lattice models

   Författare :Kristofer Björnson; Annica M. Black-Schaffer; Jonas Fransson; Olle Eriksson; Andrei Bernevig; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Topology; Majorana; superconductivity; material physics; numerical calculations; tight-binding; mean-field;

   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

7. 5. Quantum Transport Theory in Graphene

   Författare :Anders Bergvall; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; quantum coherent electron transport; nanoribbons; FT-LDOS; grain boundaries; tight-binding; 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