Calculation of InAS WurtZite bragg peak position

In summary, the conversation discusses how to calculate the distance and angle of reflection for a (1 0 3/2) WZ InAs peak in a diffractogram. The calculation involves finding the corresponding d-value for the specific lattice and using Bragg's law. Alternatively, one can use a program like PowderCell to calculate the angles. The conversation also mentions the need to consider the commutative restraints of the Wurtzite structure and the relation between the standard and surface reciprocal space bases. The Busing and Levy (1967) paper provides a useful resource for calculating diffractometer angles.
  • #1
poul
17
0
Hey

If I have a InAs Wurtzite structure, and now the a and c parameter from tables. How can i calculate the distance between (1 0 3/2)_sur layers? (in surface coordinates)

I need it to find the angle of reflection, for a (1 0 3/2) WZ InAs peak.

Is it just so simple?

(1 0 3/2)_sur = (7/6 7/6 -5/6)_cubic (in cubic coordinates)
And then the distance is just
d=2*pi/G_hkl= a_cub / (sqrt(123/36))

And then i can just use braggs law
2dsin(angle)=wavelength
 
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  • #2
Not a 100% sure what you are asking, but as I understand it you want to find the 2θ angle of your peak in a diffractogram?

If so the calculation should be straight forward. I.e. use whatever miller indice you want, find the corresponding d- value (i.e. plane spacing) for your specific lattice and then use Bragg's law.

Keep in mind that the Wurtzite structure is hcp and the commutative restraints that puts on Miller indices.

Or you could just download PowderCell, enter the structure data, and let it calculate it for you!

If I misunderstood you, please let me know and I'll see if I can help.
Hope this is of use!
 
Last edited:
  • #3
If you only want the scattering angle, then yes, it is that easy.

Otherwise you have to figure out the exact relation between the standard and surface reciprocal space bases.

How to calculate diffractometer angles from that is very nicely described by Busing and Levy (1967).

http://scripts.iucr.org/cgi-bin/paper?a05492
 

1. What is the significance of calculating the InAS WurtZite bragg peak position?

The InAS WurtZite bragg peak position is important because it can provide valuable information about the crystal structure and properties of InAS, a compound semiconductor material. Understanding the bragg peak position can help researchers better understand the material's electronic and optical properties.

2. How is the InAS WurtZite bragg peak position calculated?

The InAS WurtZite bragg peak position is calculated using the Bragg equation, which takes into account the lattice spacing and the angle at which the X-rays are diffracted from the crystal. The lattice spacing can be determined experimentally using X-ray diffraction techniques or can be calculated from the crystal structure parameters.

3. What factors can affect the accuracy of the calculated InAS WurtZite bragg peak position?

The accuracy of the calculated bragg peak position can be affected by factors such as sample preparation, instrumental errors, and variations in the crystal structure due to temperature or strain. It is important to carefully control these factors in order to obtain reliable results.

4. Can the InAS WurtZite bragg peak position be used to identify impurities in the crystal?

Yes, the InAS WurtZite bragg peak position can be used to identify impurities in the crystal structure. If there are any impurities present, they can cause slight variations in the lattice spacing and thus alter the bragg peak position. This can be detected through careful analysis of the bragg peak position.

5. How can the calculated InAS WurtZite bragg peak position be used in practical applications?

The calculated InAS WurtZite bragg peak position can be used to design and optimize devices that use InAS, such as solar cells, lasers, and transistors. By understanding the crystal structure and properties of InAS, researchers can make more informed decisions in the development of these technologies.

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