Change search
ReferencesLink to record
Permanent link

Direct link
Carbon in iron phases under high pressure
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Condensed Matter Theory.ORCID iD: 0000-0001-7531-3210
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
Show others and affiliations
2005 (English)In: Geophysical Research Letters, ISSN 0094-8276, Vol. 32, no 21Article in journal (Refereed) Published
Abstract [en]

The influence of carbon impurities on the properties of iron phases (bcc, hcp, dhcp, fcc) has been studied using the first-principles projector augmented-wave ( PAW) method for a wide pressure range. It is shown that the presence of similar to 6 at. % of interstitial carbon has a little effect on the calculated structural sequence of the iron phases under high pressure. The bcc ! hcp transition both for pure iron and iron containing carbon takes place around 9 GPa. According to the enthalpies comparison, the solubility of carbon into the iron solid is decreased by high pressure. The coexistence of iron carbide (Fe3C) + pure hcp Fe is most stable phase at high pressure compared with other phases. Based on the analysis of the pressure-density dependences for Fe3C and hcp Fe, we suggest that there might be some fraction of iron carbide present in the core.

Place, publisher, year, edition, pages
2005. Vol. 32, no 21
Keyword [en]
augmented-wave method, earths core, temperature, compression, principles, mantle, state, fe3c, gpa
URN: urn:nbn:se:kth:diva-15182DOI: 10.1029/2005gl024187ISI: 000233354300006ScopusID: 2-s2.0-29344449968OAI: diva2:333223
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Belonoshko, Anatoly B.Johansson, BörjeAhuja, Rajeev
By organisation
Condensed Matter TheoryApplied Material PhysicsMaterials Science and Engineering
In the same journal
Geophysical Research Letters

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 35 hits
ReferencesLink to record
Permanent link

Direct link