Thermodynamic and optoelectronic properties of GaAs(1−x) Mx(M = Fe,Cu) ternary compounds via first principles
Name:
Publisher version
View Source
Access full-text PDFOpen Access
View Source
Check access options
Check access options
Average rating
Cast your vote
You can rate an item by clicking the amount of stars they wish to award to this item.
When enough users have cast their vote on this item, the average rating will also be shown.
Star rating
Your vote was cast
Thank you for your feedback
Thank you for your feedback
Issue Date
2022-06-01
Metadata
Show full item recordPublisher
Elsevier LtdJournal
Materials Today CommunicationsDOI
10.1016/j.mtcomm.2022.103200Abstract
The electronic structure, band structure and optical properties of compounds GaAs(1−x)Mx (M = Fe,Cu), for x=0.25, 0.75, and 1 are discussed via Full-potential linearized augmented plane wave calculations. An increase in absorption in the visible spectrum is observed for all compounds, which, however, is associated with an increasingly metallic character as the metal concentration increases, to the point that compound GaFe is an indirect degenerate semiconductor. The addition of Fe and Cu to the compound decreases its stability, as demonstrated by the formation enthalpies, which become progressively more positive as the content in As is decreased. The calculations were performed using both the PBE and PBEsol exchange correlation potentials and the TB-mBJ method was used to verify the band structure obtained.Type
info:eu-repo/semantics/articleRights
info:eu-repo/semantics/embargoedAccessAttribution-NonCommercial-ShareAlike 4.0 International
Language
engDescription
El texto completo de este trabajo no está disponible en el Repositorio Académico UPC por restricciones de la casa editorial donde ha sido publicado.EISSN
23524928Sponsors
Consejo Nacional de Ciencia, Tecnología e Innovación Tecnológicaae974a485f413a2113503eed53cd6c53
10.1016/j.mtcomm.2022.103200
Scopus Count
Collections
The following license files are associated with this item:
- Creative Commons
Except where otherwise noted, this item's license is described as info:eu-repo/semantics/embargoedAccess