Sökning: "electronic band structure"

Visar resultat 1 - 5 av 270 avhandlingar innehållade orden electronic band structure.

1. 1. Formation stability and electronic structure of surfaces and interfaces from first principles

   Författare :Jochen Rohrer; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; band structure; van der Waals interaction; electronic structure; graphane; graphene; atomic structure; growth; thin film; interface; density functional theory; CVD; Alumina; nucleation;

   Sammanfattning : This thesis deals with two closely interwoven aspects of first-principle(density functional theory) materials modeling:(1)~prediction of atomic structure & chemical composition,and (2)~prediction of electronic properties.In the first part, we focus on atomic structure (AS) and chemical composition (CC) of surface and interface systems. LÄS MER

3. 2. 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

4. 3. Structural, Electronic and Mechanical Properties of Advanced Functional Materials

   Författare :Muhammad Ramzan; Rajeev Ahuja; S. K. Saxena; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DFT; Hydrogen storage; Rechargeable batteries; Amorphization; Electronic structure; Crystal strcuture; Molecular dynamics; Diffusion; Intercalation voltage; High pressure; MAX phases; Mechanical properties; Optical properties; Phase change memory; Spintronics; Magnetism; Correlation effects; Band structure; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : The search for alternate and renewable energy resources as well as the efficient use of energy and development of such systems that can help to save the energy consumption is needed because of exponential growth in world population, limited conventional fossil fuel resources, and to meet the increasing demand of clean and environment friendly substitutes. Hydrogen being the simplest, most abundant and clean energy carrier has the potential to fulfill some of these requirements provided the development of efficient, safe and durable systems for its production, storage and usage. LÄS MER

5. 4. Electronic structure and transport in exotic nanostructures

   Författare :Athanasios Tsintzis; NanoLund: Centre for Nanoscience; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Nanostructures; Electronic structure; Quantum transport; Nanowires; Quantum dots; Superconductivity; Majorana bound states; Topological insulators; Fysicumarkivet A:2023:Tsintzis;

   Sammanfattning : This thesis explores the physics of nanostructures involving nanowires, quantum dots, superconductors, and topological insulators. These systems serve as excellent platforms for fundamental physics studies and quantum technology applications. LÄS MER

7. 5. Electronic Transport in Materials

   Författare :Velimir Meded; Susanne Mirbt; Ingrid Mertig; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics; Electronic Structure; Ab initio; Condensed Matter Theory; Hydrogen; Boltzmann Transport Equation; Magnetism; Alloys; Fysik; Physics; Fysik;

   Sammanfattning : Transport properties within the Boltzmann transport equation for metallic multi-layer structures as well as bulk materials, were the prime topic of this work. Ab initio total energy calculations for Hydrogen loaded metallic multi-layers were performed in order to shed some light onto problem of H depleted layers at the interfaces that have been experimentally observed. LÄS MER