First-principle study of structural, electronic and magnetic properties of (FeC) n (n = 1-8) and (Fe...
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
About this item
Full title
Author / Creator
Publisher
England
Journal title
Language
English
Formats
Publication information
Publisher
England
More information
Scope and Contents
Contents
The structural, electronic and magnetic properties of the (FeC)
(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 surfaces of (FeC)
clusters. Relatively stabiliti...
Alternative Titles
Full title
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
Authors, Artists and Contributors
Author / Creator
Identifiers
Primary Identifiers
Record Identifier
TN_cdi_pubmed_primary_29235539
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmed_primary_29235539
Other Identifiers
E-ISSN
2045-2322
DOI
10.1038/s41598-017-17834-9
