On the electronic properties of some metals using density-functional theory
The use of density functional theory as a viable tool for investigating the electronic structure of both periodic and disordered system at ground state has been emphasized. In this study, we employ local density approximation and plane wave formalism via Quantum ESPRESSO, the selected metals was observed to exhibit degenerate but overlap bands except Copper and Silver whose inner d state function transits its broader s state. The study shows the efficacy of density functional theory as a promising tool for explaining electronic properties of metal.
View Full Article:
LicenseAuthors who publish with this journal agree to the following terms:
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under aÂ Creative Commons Attribution Licensethat allows others to share the work with an acknowledgement of the work''s authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal''s published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (SeeÂ The Effect of Open Access).