Publication:
Metamagnetic behavior in Fe3Si and Fe3Al
Metamagnetic behavior in Fe3Si and Fe3Al
Date
2008-01
Authors
N.E. Christensen
J. Kudrnovský
C.O. Rodriguez
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Research Projects
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Abstract
The electronic properties of Fe3Si and Fe3Al in the cubic DO3 structure are calculated
within the local spin density approximation. There are two types of Fe atomic positions, one
with tetrahedral symmetry ([A,C]) and one with cubic ([B]) point symmetry. The magnetic
properties of the Fe[B] sublattice are similar to those of bcc iron (same symmetry), and this
sublattice moment varies smoothly when the volume is varied. The [A,C] Fe atoms, on the
other hand, exhibit magnetic phase transitions behavior when the volume is varied similar,
and we refer to this as a metamagnetic behavior. The present calculations show that in Fe3Si
and Fe3Al the transitions between various high-spin and low-spin phases are expected near
and below the equilibrium volume, and experimental observation of the transitions should
therefore be possible by means of high-pressure experiments.
Description
Keywords
Magnetism,
Electronic structure,
Iron compounds,
Pressure effects