Linked Life Data

17155287

Source:http://linkedlifedata.com/resource/pubmed/id/17155287

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
14
pubmed:dateCreated
2006-12-12
pubmed:abstractText
The evolution of the magnetic moment in iron clusters containing 20-400 atoms is investigated using first-principles numerical calculations based on density-functional theory and real-space pseudopotentials. Three families of clusters are studied, characterized by the arrangement of atoms: icosahedral, body-centered cubic centered on an atom site, and body-centered cubic centered on the bridge between two neighboring atoms. We find an overall decrease of magnetic moment as the clusters grow in size towards the bulk limit. Clusters with faceted surfaces are predicted to have magnetic moment lower than other clusters with similar size. As a result, the magnetic moment is observed to decrease as function of size in a nonmonotonic manner, which explains measurements performed at low temperatures.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Oct
pubmed:issn
0031-9007
pubmed:author
pubmed:issnType
Print
pubmed:day
6
pubmed:volume
97
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
147201
pubmed:year
2006
pubmed:articleTitle
Evolution of magnetism in iron from the atom to the bulk.
pubmed:affiliation
Center for Computational Materials, Institute for Computational Engineering and Sciences, University of Texas, Austin, Texas 78712, USA.
pubmed:publicationType
Journal Article