Sökning: "Tight-binding theory"

Visar resultat 1 - 5 av 24 avhandlingar innehållade orden Tight-binding theory.

1. 1. 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

3. 2. 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

4. 3. In silico studies of carbon nano tubes and metal clusters

   Författare :Anders Börjesson; Högskolan i Borås; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; carbon nanotube; metal clusters; melting temperatures; nanotechnology; molecular dynamics; tight binding; density functional theory; monte carlo; Energi och material; carbon nanotubes; metal clusters; melting temperatures; nanotechnology; molecular dynamics; Monte-Carlo; tight binding; density functional theory;

   Sammanfattning : Carbon nanotubes have been envisioned to become a very important material in various applications. This is due to the unique properties of carbon nanotubes which can be exploited in applications on length scales spanning from the nano world to our macroscopic world. LÄS MER

5. 4. Electronic Structure of Some Zincblende Semiconductor Surfaces

   Författare :Yousef Omar Khazmi; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; CdTe; valence band; InP; tight-binding; core level; superlattice; surface; Green s function; adsorbates; semiconductor; GaAs; photoemission; electronic structure;

   Sammanfattning : The main aim of this thesis is to study and understand the surface electronic structure of compound semiconductors (ex. GaAs, InP, ..etc. LÄS MER

7. 5. Computational studies of graphene and single walled carbon nanotube growth and carbonaceous polymeric nanocomposites

   Författare :Shayesteh Haghighatpanah; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Graphene; functionalization; carbon nanotube; Monte Carlo; tight binding; polyacrylonitrile; polyethylene; molecular mechanics; molecular dynamics.;

   Sammanfattning : Graphene and single walled carbon nanotube (SWNT) has attracted a lot of attention in different fields of science due to its unique electrical, mechanical, and optical properties. Controlling the growth of graphene and SWNT is a very topical subject and critical for producing material with desired properties since their properties are highly dependent on their atomic structure and it is often desirable that the material contains very few or (if possible) no defects. LÄS MER