Magnetism of Fe clusters embedded in Cu, Ag, and Au fcc matrices: density functional calculations

R.E. Félix-Medina, M.A. Leyva-Lucero, S. Meza-Aguilar () and C. Demangeat

The European Physical Journal B: Condensed Matter and Complex Systems, 2014, vol. 87, issue 1, 1-9

Abstract: We present extensive first principles density functional theory (DFT) calculations dedicated to analyze the magnetic properties of small Fe n clusters (n=2,3) embedded in Cu fcc, Ag fcc and Au fcc matrices. We consider several dimers and trimers having different interatomic distances. In all cases the Fe atoms are embedded as substitutional impurities in the metallic network. For the case of the Fe dimers we have considered two magnetic configurations: ferromagnetic (antiferromagnetic), when the atomic magnetic moment of the Fe atoms are parallel (antiparallel) each other. For the case of dimers immersed in Cu and Ag matrices, the ground state corresponds to the ferromagnetic Fe dimer whose interatomic distance is a/√2. For Fe dimer immersed in the Au matrix the ground state corresponds to a ferromagnetic coupling when the interatomic distance is a√(3/2). In the case of the Fe trimers we have considered three or four magnetic configurations, depending on the Fe cluster geometry. For the case of Fe trimer immersed in Cu and Ag matrices we have found that the ground state corresponds to the ferromagnetic trimer forming an equilateral triangle with an interatomic distance equal to a/√2. The ground state for the Fe trimer immersed in the Au matrix corresponds to the ferromagnetic Fe trimer forming a right angle triangle. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2014

Keywords: Mesoscopic and Nanoscale Systems (search for similar items in EconPapers)
Date: 2014
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://hdl.handle.net/10.1140/epjb/e2013-40451-2 (text/html)
Access to full text is restricted to subscribers.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:87:y:2014:i:1:p:1-9:10.1140/epjb/e2013-40451-2

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/e2013-40451-2

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().