Lattice dynamics, mechanical stability and electronic structure of Fe-based Heusler semiconductors

The structural and mechanical stability of Fe(2)TaAl and Fe(2)TaGa alloys along with the electronic properties are explored with the help of density functional theory. On applying different approximations, the enhancement of semiconducting gap follows the trend as GGA < mBJ < GGA + U. The maxi...

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Detalles Bibliográficos
Autores principales: Khandy, Shakeel Ahmad, Islam, Ishtihadah, Gupta, Dinesh C., Khenata, Rabah, Laref, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6365636/
https://www.ncbi.nlm.nih.gov/pubmed/30728387
http://dx.doi.org/10.1038/s41598-018-37740-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6365636/
https://www.ncbi.nlm.nih.gov/pubmed/30728387
http://dx.doi.org/10.1038/s41598-018-37740-y

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