Electronic band structure equations and Fermi surface evolution from 2D materials to 3D layered superconducting compounds
|
Alanoud Almutairi Thesis
(PDF 5MB)
Available under License Creative Commons Attribution Non-commercial No Derivatives 4.0. |
Description
A simple approach for extracting the superconducting gap of materials from trendline fittings of key sections of their Electronic Band Structures (EBS), calculated using Density Functional Theory (DFT), is presented. The proposed approach works well for very different compositions, structure types and superconducting transition temperatures, indicating that it is robust, reliable and versatile. This approach provides many advantages in terms of required computational time and power, compared with similar information extracted from phonon dispersion calculations, making it accessible to wider DFT-computational chemistry and physics communities. The approach also identifies requirements for superconductivity and indirectly contributes towards understanding of superconductivity mechanisms.
Impact and interest:
Citation counts are sourced monthly from Scopus and Web of Science® citation databases.
These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.
Citations counts from the Google Scholar™ indexing service can be viewed at the linked Google Scholar™ search.
Full-text downloads:
Full-text downloads displays the total number of times this work’s files (e.g., a PDF) have been downloaded from QUT ePrints as well as the number of downloads in the previous 365 days. The count includes downloads for all files if a work has more than one.
ID Code: | 134414 |
---|---|
Item Type: | QUT Thesis (PhD) |
Supervisor: | Alarco, Jose, Farrell, Troy, & Lipton-Duffin, Josh |
Additional Information: | Executive Dean’s Commendation for Outstanding Doctoral Thesis Award |
Keywords: | Superconductivity, Electronic band structure, Density Functional Theory, Fermi surface, Phonon dispersions, Fermi level, Fermi energy, k-grid, effective masses, MgB2, EDCA |
DOI: | 10.5204/thesis.eprints.134414 |
Divisions: | Past > QUT Faculties & Divisions > Science & Engineering Faculty Past > Schools > School of Chemistry, Physics & Mechanical Engineering |
Institution: | Queensland University of Technology |
Deposited On: | 28 Nov 2019 07:31 |
Last Modified: | 09 Dec 2020 04:10 |
Export: EndNote | Dublin Core | BibTeX
Repository Staff Only: item control page