Cargando…
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...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
|
| Materias: | |
| 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 |