Equation of state and elastic properties of face-centered cubic FeMg alloy at ultrahigh pressures from first-principles
2010 (English)In: Earth and Planetary Science Letters, ISSN 0012-821X, E-ISSN 1385-013X, Vol. 293, no 1-2, 130-134 p.Article in journal (Refereed) Published
We have ca1culated the equation of state and elastic properties of face-centered cubic Fe and Fe-rich FeMg alloy at ultrahigh pressures from first principles using the Exact Muffin-Tin Orbitals method. The results show that adding Mg into Fe influences strongly the equation of state, and cause a large degree of softening of the elastic constants, even at concentrations as small as 1-2 at. %. Moreover, the e1astic anisotropy increases, and the effect is higher at higher pressures.
Place, publisher, year, edition, pages
2010. Vol. 293, no 1-2, 130-134 p.
Ab initio, Elasticity, equation of state, iron, magnesium, Earths inner core, Pressure
IdentifiersURN: urn:nbn:se:liu:diva-53906DOI: 10.1016/j.epsl.2010.02.032ISI: 000277217100013OAI: oai:DiVA.org:liu-53906DiVA: diva2:293284
Christian Asker, U. Kargén, L. Dubrovinsky and Igor Abrikosov, Equation of state and elastic properties of face-centered cubic FeMg alloy at ultrahigh pressures from first-principles, 2010, Earth and Planetary Science Letters, (293), 1-2, 130-134.
Copyright: Elsevier Science B.V., Amsterdam.