uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Magnetic Fe(n+1)AC(n) (n=1, 2, 3, and A = Al, Si, Ge) phases: from ab initio theory
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Materials Theory.
2008 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 20, no 6, 064217- p.Article in journal (Refereed) Published
Abstract [en]

We have investigated the structural stability and magnetism for a set of compounds Fe(n+1)AC(n) (n = 1, 2, 3, and A = Al, Si, Ge) using ab initio theory. From our calculation, we have shown that some Fe(n+1)AC(n) phases (n = 2) with the general MAX phase formula and a layered hexagonal structure that belongs to space group D-6h(4)-P6(3)/mmc can have a combination of properties of the MAX phase at the same time as having magnetism. The Fe3AlC2 phase shows the most stable ferromagnetic properties among these MAX phases and the magnetic moment is 0.73 mu(B)/Fe atom. In addition, the phase stability is predicted by comparing the total energy of the Fe2AlC and Fe2SiC phases with the total energy of the competing equilibrium phases at the corresponding composition.

Place, publisher, year, edition, pages
2008. Vol. 20, no 6, 064217- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-149927DOI: 10.1088/0953-8984/20/6/064217ISI: 000252927300018OAI: oai:DiVA.org:uu-149927DiVA: diva2:406189
Available from: 2011-03-24 Created: 2011-03-24 Last updated: 2017-12-11Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Luo, WeiAhuja, Rajeev

Search in DiVA

By author/editor
Luo, WeiAhuja, Rajeev
By organisation
Materials Theory
In the same journal
Journal of Physics: Condensed Matter
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 384 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf