Interference function of one-dimensional lattice

A one dimensional lattice can be viewed as a chain of particles placed at regular intervals on a single axis. The plot below represents one possible use case, where infinitely long (or very long) boxes are placed at nodes of a 1d lattice to form a grating.

See the BornAgain user manual (Chapter 3.4.1, One Dimensional Lattice) for details about the theory.

InterferenceFunction1DLattice constructor

The interference function is created using its constructor

InterferenceFunction1DLattice(length, xi)
"""
length   : length of the lattice cell, in nanometers
xi       : rotation of the lattice with respect to the x-axis, in radians
"""

Length is the length of the lattice basis vector a expressed in nanometers (see plot below). Xi is the angle defining the lattice orientation. It is taken as the angle between the a vector of the lattice basis and the x-axis of the reference cartesian frame. It is defined in radians and set to 0 by default.

When the beam azimuthal angle phi_f is zero, the beam direction coincides with x-axis of the reference frame, so the xi angle can be considered as the lattice rotation with respect to the beam.

Decay function

To account for finite size effects of the lattice, a decay function should be assigned to the interference function. This is done using the setDecayFunction(decay) method of the  1D interference function.

iff = InterferenceFunction1DLattice(10.0*nm)
iff.setDecayFunction(FTDecayFunction1DCauchy(1000.0*nm))

BornAgain supports four types of one-dimensional decay functions in reciprocal space:

# One-dimensional Cauchy decay function
FTDecayFunction1DCauchy(lambda)

# One-dimensional Gauss decay function
FTDecayFunction1DGauss(lambda)

# One-dimensional triangle decay function
FTDecayFunction1DTriangle(lambda)

# One-dimensional pseudo-Voigt decay function
FTDecayFunction1DVoigt(lambda, eta)

The parameter lambda is used to set the half-width of the distribution in nanometers. In the case of the pseudo-Voigt distribution an additional dimensionless parameter eta is used to balance between the Gaussian and Cauchy profiles.

Particle Density

During the simulation setup the particle density has to be explicitely specified by the user for correct normalization of overall intensity. This is done by using the ParticleLayout.setParticleDensity(density) method. The density parameter is given here in "number of particles per square nanometer".

Lattice rotation in details

In this paragraph we would like to clarify the relation between the lattice orientation and the orientation of the particles forming the lattice.

The rotation of the lattice doesn't change the orientation of the particles with respect to the beam direction.

Setup #1

For example, we would like to create a grating: a repetition of rectangular patches perpendicular to the beam, as shown on the plot (view from the top of the sample).

The long side of boxes is aligned along y-axes of the reference plane, the lattice axis coincides with the beam direction, the long side of the boxes is perpendicular to the beam.

To achieve such a setup, the following code should be used.

 
layout = ba.ParticleLayout()

box = ba.Particle(material, ba.FormFactorBox(10*nm, 1000*nm, 10*nm))
layout.addParticle(box)
layout.setInterferenceFunction(ba.InterferenceFunction1DLattice(40*nm))

Setup #2

If we rotate the lattice by a certain amount, the orientation of the boxes stays the same, but the effective grating period gets smaller. The setup and code are shown below.

 
box = ba.Particle(material, ba.FormFactorBox(10*nm, 1000*nm, 10*nm))
layout.addParticle(box)
layout.setInterferenceFunction(ba.InterferenceFunction1DLattice(40*nm, 30.0*deg))

Setup #3

If we want to preserve the grating period and make our boxes rotate with respect to the beam, a separate rotation should be applied.

 
box = ba.Particle(material, ba.FormFactorBox(10*nm, 1000*nm, 10*nm))
box.setRotation(ba.RotationZ(30.0*deg))
layout.addParticle(box)
layout.setInterferenceFunction(ba.InterferenceFunction1DLattice(40*nm, 30.0*deg))

Complete example

The complete example can be found here.

Interference function of 1D lattice in GUI

To Initialize InterferenceFunction1DLattice in the graphical user interface, the corresponding object has to be connected with ParticleLayout and the corresponding parameters (lattice length, rotation and parameters of decay distribution) have to be adjusted in the property editor.

In the given example, an additional rotation module is attached to the box to provide a rotation around the z-axis and achieve the configuration of "Step #3" from the example above.