View source for Spin-orbit coupling in a Fe monolayer

{{Template:Magnetism}}

== Task ==

Spin-orbit coupling (SOC) in a freestanding Fe monolayer. This example is carried out in total analogy to {{TAG|Spin-orbit coupling in a Ni monolayer}}.

== Input ==

=== {{TAG|POSCAR}} ===
<pre>
fcc Fe 100 surface
 3.45
   .50000   .50000   .00000
  -.50000   .50000   .00000
   .00000   .00000  5.00000
  1
Cartesian
   .00000   .00000   .00000
</pre>

=== {{TAG|INCAR}} ===

 {{TAGBL|SYSTEM}}        = Fe (100) monolayer
 {{TAGBL|ISTART}}        = 0
 {{TAGBL|ENCUT}}         = 270.00
 {{TAGBL|LNONCOLLINEAR}} = .TRUE.
 {{TAGBL|MAGMOM}}        = 0.0 0.0 3.0
 {{TAGBL|VOSKOWN}}       = 1
 {{TAGBL|LSORBIT}}       = .TRUE.
      
 {{TAGBL|LMAXMIX}}       = 4

*For the second calculation, switch to in-plane magnetiztion by setting {{TAG|MAGMOM}}= 3.0 0.0 0.0.

=== {{TAG|KPOINTS}} ===
<pre>
k-points
 0
Monkhorst-Pack
9 9 1
0 0 0
</pre>

== Calculation ==

*From the energy differences of the calculations using in plane and out of plane magnetization we see that the easy axis lies (in contrast to Ni) out of plane:
<math>E_{\textrm{MAE}}=E(m_{\perp})-E(m_{\parallel})=-0.2 \, \textrm{meV}</math>

== Download ==
[http://www.vasp.at/vasp-workshop/examples/4_4_SOI_Fe.tgz 4_4_SOI_Fe.tgz]
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