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Expand Up @@ -6,20 +6,20 @@ Local fields in MuSR

Muon spin rotation and relaxation spectroscopy is mainly used to probe
magnetic materials.
We briefly describe here the interactions involved between the muon and
the electrons of the hosting system which produce a local magnetic field
We briefly describe here the interactions between the magnetic moments of the
muon and the electrons in the host system that produce a local magnetic field
at the muon site in magnetically ordered samples.

Dipolar Field
+++++++++++++

The dipolar field is produced by the magnetic dipolar interaction between
the polarized electronic orbitals and the muon spin.
the spin polarized electronic orbitals and the muon spin.
Even though the interaction is best described with quantum mechanics,
for the sake of simplicity, here we approximate the polarized electronic
orbitals with classical dipoles centered at the nuclei. This
approximation is also implicit in the code and works rather well in many
cases.
for the sake of simplicity, here we approximate the spin polarized electronic
orbitals with classical dipoles centered at the nuclei of the magnetic atoms. This approximation
is also implicit in the code and works rather well in many cases.


The dipolar field is given by

Expand Down Expand Up @@ -69,53 +69,55 @@ is the **bulk** magnetization of the sample.
.. note::
:py:mod:`muesr` only estimates :math:`\mathbf{B}_\mathrm{dip}` and
:math:`\mathbf{B}_\mathrm{Lor}`.
The demagnetisation field depends on both the sample details and the
experiment details and must be evaluated case by case.
The demagnetisation field depends on both the sample shape and the
experiment conditions and it must be evaluated case by case.



Contact Hyperfine field
+++++++++++++++++++++++


There is another source of local magnetic field at the muon site
which is referred to as Fermi contact hyperfine field.
It originates from the direct interaction between the muon and polarized
electrons at the muon site.
For a polarized spherical electronic cloud surrounding the muon one has
A distinct contribution to the local magnetic field at the muon site
is referred to as Fermi contact hyperfine field.
It accounts for the finite probability for the quantum electron with
wavefunction :math:`\psi_s (\mathbf{r})` to share
the classical muon position :math:`\mathbf{r}_\mu` and it amounts to


.. math::
\mathbf{B_{\mathrm{cont}}} = \frac{2 \mu_0}{3} \vert \psi_s (\mathbf{r}_\mu) \vert ^2 \mathbf{m}_e ^s
In :py:mod:`muesr`, only a scalar relation between :math:`\mathbf{B_{\mathrm{cont}}}` and
:math:`\mathbf{m}_e` is allowed and is expressed as :math:`\vert \psi_s (\mathbf{r}_\mu) \vert ^2`.

There is another important point which strongly affects the hyperfine
field results: the number of nearest neighbours considered in the above sum.
The importance of this term is a direct consequence of the strong
approximations that we are introducing the the current version of :py:mod:`muesr`.
The contact hyperfine interaction is a purely quantistic phenomenon and
an accurate description would require the knowledge of the electronic
distribution at the muon site.
This is **very badly** approximated by considerig that each magnetic
atom while contribute to the total hyperfine field by an amount which is
inversely propostional to the cube of its distance from the muon. The
total is then scaled by the facotr ACont.
In :py:mod:`muesr`, only a scalar coupling between :math:`\mathbf{B_{\mathrm{cont}}}` and
:math:`\mathbf{m}_e` is allowed, proportional to :math:`\vert \psi_s (\mathbf{r}_\mu) \vert ^2`.


In principle the quantum nature of the contact hyperfine interaction requires the knowledge of the electronic
distribution around the muon site for an accurate description. Each magnetic atom that is a
muon neighbor may contribute with a different coupling value, while the current version of :py:mod:`muesr` allows
for just one average value. Furthermore the coupling may produce contributions from one or more neighbor magnetic atoms.
They add up differently, depending to the magnetic structure.

At the moment this is only implemented by varying the number of nearest neighbours considered in the above sum.
It is **very badly** approximated by considerig that each magnetic
atom within a given radius contributes to the total hyperfine field by an amount
inversely proportional to the cube of its distance from the muon. The
total is then scaled by the common factor ACont.

[TODO]

Improve discussion about effective nature of the contact term used in muesr!!!!
Improve the implementation of an effective contact interaction in muesr!!!!


.. _intro_description_of_magnetic_structures:

Description of Magnetic Structures
-----------------------------------

There are two possibilities to describe a magnetic structure: using the
colored group theory or with the propagation vector and Fourier
coefficients formalism. :mod:`muesr` opts for the latter.
There are two possibilities to describe a magnetic structure: by using the
color (Shubnikov) group theory or by defining one (or more) propagation vector(s) and using the Fourier
coefficients formalism. :mod:`muesr` opts for the latter, limited to single wavevector (1-k) structures for the time being.
A magnetic structure is defined as

.. math::
Expand Down Expand Up @@ -143,7 +145,7 @@ group formed by the operators leaving invariant the propagation vector.
[TODO] Discuss the phase!


:mod:`muesr` can only handle 1-k magnetic structures.
As we said :mod:`muesr` can only handle 1-k magnetic structures.
However, since local field are linear in the magnetic moment, the
results for multiple-k magnetic orders can be obtained by performing
multiple simulations for each of the k vectors and Fourier components
Expand Down

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