Atomic scattering factor for compounds

In summary, the atomic scattering factor for compounds is a measure of the intensity of X-ray scattering from a compound's atoms. It takes into account the number of electrons, their distribution, and the type of element to determine the scattering strength. This factor is important in X-ray crystallography and helps researchers determine the structure and composition of compounds.
  • #1
freeone
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0
Hi there,

I am trying to calculate diffraction efficiencies of a lattice with the coupled wave theory. As material parameters the programm I got needs the atomic scattering factor f1 and f2. (see http://henke.lbl.gov/optical_constants/asf.html for elements)
I understood this seems to correlate to the values δ and β in the complex index of refraction for atoms. This seems not to be true for compounds. As there is of course a index of refraction defined for compounds (http://henke.lbl.gov/optical_constants/getdb2.html).

Is there an equivalent number for the optical properties for composite materials?

Thanks,
freeone
 
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  • #2


Hello freeone,

Thank you for your question. The atomic scattering factor, or ASF, is a fundamental parameter used in the calculation of diffraction efficiencies. It is a measure of how strongly atoms scatter light and is related to the complex index of refraction for individual atoms. However, as you mentioned, this does not directly apply to compounds or composite materials.

In order to calculate the diffraction efficiencies for composite materials, you will need to consider the individual ASFs for each element present in the material. This can be done by using the mass fractions of each element and their corresponding atomic scattering factors. The overall diffraction efficiency is then calculated by taking into account the interactions between the different elements in the composite material.

Alternatively, you can also use the complex index of refraction for the compound, which takes into account the interactions between the different elements. This can be found in databases such as the one you mentioned (http://henke.lbl.gov/optical_constants/getdb2.html).

I hope this helps clarify the calculation process for diffraction efficiencies in composite materials. Please let me know if you have any further questions.
 

1. What is the atomic scattering factor for compounds?

The atomic scattering factor for compounds is a measure of the scattering of X-rays by the atoms in a compound. It takes into account the atomic number, electron density, and atomic arrangement of the compound.

2. How is the atomic scattering factor calculated?

The atomic scattering factor is calculated using the formula f = f0 + f' + if'', where f0 is the scattering factor for a free atom, and f' and f'' are the real and imaginary components of the anomalous scattering factor, respectively.

3. Why is the atomic scattering factor important in X-ray crystallography?

The atomic scattering factor is important in X-ray crystallography because it allows scientists to determine the positions and arrangements of atoms in a compound. This information is crucial in understanding the properties and behaviors of the compound.

4. How does the atomic scattering factor vary with wavelength of X-rays?

The atomic scattering factor varies with the wavelength of X-rays because it is dependent on the energy of the incident X-rays. As the wavelength increases, the energy of the X-rays decreases, resulting in a decrease in the atomic scattering factor.

5. Can the atomic scattering factor be used to distinguish between different elements in a compound?

Yes, the atomic scattering factor can be used to distinguish between different elements in a compound. Since it takes into account the atomic number and electron density of the atoms, it will be different for each element, allowing for differentiation between them.

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