dc.contributor.author |
Gaston, Nicola |
en |
dc.contributor.author |
Gilmour, JTA |
en |
dc.date.accessioned |
2020-02-11T03:21:54Z |
en |
dc.date.issued |
2019-08-21 |
en |
dc.identifier.issn |
2516-1075 |
en |
dc.identifier.uri |
http://hdl.handle.net/2292/49870 |
en |
dc.description.abstract |
The geometries and electronic structures for Cu X Ni8−X (X = 1–8) clusters have been elucidated using density functional theory methods. These clusters have been demonstrated to be eight superatomic electron species, with a substantial HOMO-LUMO gap and closed 1S and 1P subshells. Through sequential replacement of copper atoms for nickel in these clusters it has been shown that the magnetic moment of bimetallic clusters can be controllably altered, with the nickel atoms localising spin density in their 3d orbitals. |
en |
dc.publisher |
IOP |
en |
dc.relation.ispartofseries |
Electronic Structure |
en |
dc.rights |
Items in ResearchSpace are protected by copyright, with all rights reserved, unless otherwise indicated. Previously published items are made available in accordance with the copyright policy of the publisher. |
en |
dc.rights.uri |
https://researchspace.auckland.ac.nz/docs/uoa-docs/rights.htm |
en |
dc.title |
Tuneable magnetic moments in superatomic CuXNi8−X clusters |
en |
dc.type |
Journal Article |
en |
dc.identifier.doi |
10.1088/2516-1075/ab2c76 |
en |
pubs.issue |
3 |
en |
pubs.volume |
1 |
en |
dc.rights.holder |
Copyright: The author |
en |
dc.rights.accessrights |
http://purl.org/eprint/accessRights/RestrictedAccess |
en |
pubs.subtype |
Article |
en |
pubs.elements-id |
793112 |
en |
pubs.org-id |
Science |
en |
pubs.org-id |
Physics |
en |
pubs.record-created-at-source-date |
2020-01-29 |
en |