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Non-collinear magnetism in iron at high pressures
- Source :
-
Physics of the Earth & Planetary Interiors . Jun2004, Vol. 143-144, p445-453. 9p. - Publication Year :
- 2004
-
Abstract
- Using a first-principles based, magnetic tight-binding total energy model, the magnetization energy and moments are computed for various ordered spin configurations in the high pressure polymorphs of iron (fcc, or γ-Fe, and hcp, or ε-Fe), as well as ferromagnetic bcc iron (α-Fe). For hcp an antiferromagnetic spin configuration is more stable than non-magnetic ε iron up to about 50 GPa. Accounting for magnetism yields better agreement with the experimental equation of state, in contrast to the non-magnetic equation of state, which is in poor agreement with experiment below 50 GPa. We also studied non-collinear magnetism in γ- and ε-Fe. In ε-Fe the non-collinear effects are quite small energetically; in its stability field the collinear afmII structure is more stable than all non-collinear structures we explored. [Copyright &y& Elsevier]
- Subjects :
- *BINDING energy
*MAGNETIZATION
*IRON ores
*EQUATIONS of state
Subjects
Details
- Language :
- English
- ISSN :
- 00319201
- Volume :
- 143-144
- Database :
- Academic Search Index
- Journal :
- Physics of the Earth & Planetary Interiors
- Publication Type :
- Academic Journal
- Accession number :
- 13181386
- Full Text :
- https://doi.org/10.1016/j.pepi.2004.02.002