Caricamento...
First-principle study of structural, electronic and magnetic properties of (FeC)(n) (n = 1–8) and (FeC)(8)TM (TM = V, Cr, Mn and Co) clusters
The structural, electronic and magnetic properties of the (FeC)(n) (n = 1–8) clusters are studied using the unbiased CALYPSO structure search method and density functional theory. A combination of the PBE functional and 6–311 + G* basis set is used for determining global minima on potential energy s...
Salvato in:
| Pubblicato in: | Sci Rep |
|---|---|
| Autori principali: | , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Nature Publishing Group UK
2017
|
| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5727526/ https://ncbi.nlm.nih.gov/pubmed/29235539 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-17834-9 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !
|