Dear Mackenzi Plourde ,

although you are 'new' in the XRD field, you should have (had) a look or should be familiar with the very basics of XRD.

There are two equations of interest for you here:

a) the Bragg law, which relates the peak positions in the theta or '2*theta' angular scale to the lattice plane distances 'd' and the x-ray wave length 'lambda' in use;

lambda = 2*d*sin(theta)*), and

b) the relation of the x-ray wavelength lambda with respect to the x-ray photon energy E:

E * lambda = h * c,

with h = Planck's constant and c the speed of light. From this equation you have: lambda1/lambda2 = E2/E1

Starting from the Bragg law and dealing with two different wavelengths you will have a set of equations like:

lambda1 = 2 * d * sin(theta1) and

lambda2 = 2 * d * sin(theta2).

The interplanar spacings d will get no index (1) or (2) because they will not being changed in the sample when the wavelength or the x-ray photon energy is changed in the XRD set up.

A ratio of these two equations will lead to:

lambda1/lambda2 = sin(theta1)/sin(theta2)

Using the 'b)' relations (lambda1/lambda2 = E2/E1 ) you are able to replace

lambda1/lambda2 by E2/E1:

The result is:

E2/E1 = sin(theta1)/sin(theta2)

Now you are able to scale your theta1 ( or 2theta1) axis relative to the theta2 (or 2theta2) axis or vice versa. Just play around with the above equation...

*) often the Bragg law is written as 'n * lambda = 2*d*sin(theta)' with n as the diffraction order; but you can skip the 'n' here, because of the ratios in the further considerations...

Good luck and

best regards

G.M.

XRD pattern may be function of state of energy (temperature). At different states of sample , lattice vibrations of atoms /molecules/ions that make up the sample are different. Hence x-rays scattered from sample at one energy state and that from other energy state may be different.

It is not possible to directly convert XRD data from one energy to another. This is because the X-ray energy affects the diffraction angles, and therefore the positions of the diffraction peaks in the XRD pattern. However, there are ways to compare XRD patterns taken at different energies or to make predictions about the diffraction pattern at a different energy.

One option is to use a software tool such as FullProf Suite or TOPAS to simulate the XRD patterns for your samples at different energies. You would need to input the crystal structure information for your samples and specify the experimental conditions (wavelength, energy, etc.) for each simulation.

Another option is to use a conversion equation that relates the diffraction angles at different energies, such as the Bragg equation:

nλ = 2d sin(θ)

where n is the order of the diffraction peak, λ is the X-ray wavelength, d is the lattice spacing, and θ is the diffraction angle. By solving this equation for the same diffraction peak at two different energies, you can compare the positions of the peak in the XRD patterns. However, this method assumes that the crystal structure and sample preparation are the same for both samples, which may not be the case.

To get some feedback, please refer to the latest preprint article at link DOI: 10.13140/RG.2.2.27720.65287/3