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
An ab initio study of S-substituted iron-nickel-silicon alloy at the Earth's inner core pressure
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science. (Condensed Matter Theory Grp)
Show others and affiliations
2008 (English)In: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 28, no 4, 437-441 p.Article in journal (Refereed) Published
Abstract [en]

The thermodynamic stability of S-substituting Si into a bcc Fe0.80Ni0.05SxSi(0.15-x) random alloy, with x=0.025 n (n=0-- 4), was investigated up to 350GPa by using an ab initio density functional method based on the full charge density-exact muffin-tin orbital-coherent potential approximation scheme. From the analysis of the calculated H values, we suggest that the FeNiSSi stoichiometry with zero sulphur content always behaves as the most stable system along the whole pressure range of 0-350GPa. As a general tendency, we found that the alloys with 6.8-8.1wt.% Si are energetically more stable than those with lower silicon content, thus supporting the dissolution mechanism for the Earth's inner core compositional model.

Place, publisher, year, edition, pages
2008. Vol. 28, no 4, 437-441 p.
Keyword [en]
Earth's core composition, high-pressure, FeNiSSi alloys, DFT, EMTO, CPA
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-129289DOI: 10.1080/08957950802497323ISI: 000261736600003OAI: oai:DiVA.org:uu-129289DiVA: diva2:342815
Available from: 2010-08-11 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Vitos, LeventeAhuja, Rajeev

Search in DiVA

By author/editor
Vitos, LeventeAhuja, Rajeev
By organisation
Department of Physics and Materials Science
In the same journal
High Pressure Research
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 414 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