Derivation of the atomic form factor

In summary, the atomic form factor is defined as the integral of the electron density of the jth atom at r, multiplied by the exponential of the reciprocal lattice vector G dot product with r. The author then shows that this expression is equivalent to 2 pi times another integral, where the electron distribution is assumed to be spherically symmetric and the angle between G and r is denoted as alpha. This is done by integrating d(cos alpha) from -1 to 1, which corresponds to the polar angle in spherical coordinates. The author also provides a resource for further reading on spherical coordinates.
  • #1
mjordan2nd
177
1
My book defines the atomic form factor as

[tex]\int dV n_{j}(\vec{r})e^{-i \vec{G} \bullet \vec{r}}[/tex].

where n(r) is the electron density of the jth atom at r, and G is the reciprocal lattice vector. It says the above expression is equal to

[tex]2 \pi \int dr r^{2} d(cos \alpha) n_{j}(r) e^{-iGr cos \alpha}[/tex]

in the case that the electron distribution is spherically symmetric where alpha is the angle between the reciprocal lattice vector and r. I don't understand how the author goes from the first equation to the second. In fact, I'm not sure I'm comfortable with this d(cos) notation at all. If someone could point me to a site where I could read up about that, I would appreciate it. The author then proceeds to integrate d(cos) from -1 to 1. Why he does this is unclear to me as well. Any help is appreciated.
 
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  • #2
The integral is done in spherical coordinates.
The z axis is taken along the direction of the G vector so the angle between r and G si theta (the polar angle).
The volum element in spherical coordinates is
dV=r^2 sin(theta) dr d(theta) d(phi)
The author writes sin(theta)d(theta) as d(cos theta).
n(r) is asumed to have spherical symmetry here so it depends on the r (magnitude, not vector) only.

For more on sperical coordinates, you can see this, for example:
http://en.wikipedia.org/wiki/Spherical_coordinate_system
 

1. What is the atomic form factor?

The atomic form factor is a mathematical description of how a particular atom scatters electromagnetic radiation, such as X-rays or gamma rays. It takes into account the size, shape, and distribution of electrons within the atom.

2. Why is the atomic form factor important in scientific research?

The atomic form factor is important because it allows scientists to understand and analyze the structure and properties of atoms. It is particularly useful in studies of crystal structures and for determining the atomic composition of materials.

3. How is the atomic form factor derived?

The atomic form factor is derived using quantum mechanical calculations and experimental data. It involves complex mathematical equations that take into account the electron density and distribution within the atom.

4. What factors affect the value of the atomic form factor?

The value of the atomic form factor is affected by the atomic number of the element, the type of radiation being scattered, and the scattering angle. It also depends on the energy of the radiation and the distance between the atom and the detector.

5. Can the atomic form factor be measured directly?

No, the atomic form factor cannot be measured directly. It is a theoretical value that is calculated based on experimental data and mathematical models. However, its accuracy can be confirmed by comparing theoretical calculations with experimental results.

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