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
Structure behavior and equation of state (EOS) of Ni2P and (Fe1 x Nix)2P (allabogdanite) from First-principles calculations
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2010 (English)In: Earth and Planetary Science Letters, ISSN 0012-821X, E-ISSN 1385-013X, Vol. 295, no 3-4, 578-582 p.Article in journal (Refereed) Published
Abstract [en]

First-principles calculations have been performed to determine the equations of state (EOS) and structural parameters of Ni2P, NiP2 (Pyrite type) and Ni-doped Fe2P (allabogdanite) at high pressures. Ni2P (C22) is less compressible than hcp Fe, Fe2P (C22) and Fe2P (C23), because of its higher bulk modulus, found to be in good agreement with experimental results. Phase transition from C22 to C23 phase in Ni2P has not been observed up to 50 GPa. We have studied the structure parameters and the bulk modulus of (Fe1-x Ni-x)(2)P (allabogdanite) in the concentration range (x=0-0.187) of a stability region of allabogdanite phase. Bulk modulus of (Fe1-x Ni)(2)P (allabogdanite) slightly increases with increase in doping concentration up to 18.75%. The resulting bulk modulus, however, is between Fe2P and Ni2P. Bulk modulus of Ni-doped Fe2P (C23) with maximum possible doping concentration is found to be larger than pure Fe2P (C23) by 7.6%.

Place, publisher, year, edition, pages
2010. Vol. 295, no 3-4, 578-582 p.
Keyword [en]
composition of Earth core, equation of state, First-principles calculation
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-135675DOI: 10.1016/j.epsl.2010.04.047ISI: 000279744900024OAI: oai:DiVA.org:uu-135675DiVA: diva2:375399
Available from: 2010-12-08 Created: 2010-12-07 Last updated: 2012-03-14Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Ahuja, Rajeev

Search in DiVA

By author/editor
Ahuja, Rajeev
By organisation
Materials Theory
In the same journal
Earth and Planetary Science Letters
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 327 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