I am depositing indium oxide thin film (30 nm) and nano wire (200 nm) on p-type Si substrate using E-beam evaporator. I took the XRD Measurement so i want to know how to calculate d-spacing and lattice constant and what information we will get from d-spacing and lattice constant about the structure. Even i want to know through XRD peak how we can analyse whether it is bcc- cubic or simple cubic (Manually, without comparing withJCPDS File, is there any manual way). I am attaching XRD Measurement file. The XRD peaks are 211/ at 21 (degree) , 222/ 33(deg) ,622 / 62(deg) , 032/ 69 (deg).
Please suggest.
d-spacing is found using the Bragg equation from your angular positions.
lattice constants are found by indexing.
There are very many discussion on here that discuss these processes and I suggest that you do a little research. Or even read a book about XRD!
Regarding BCC etc., if you know the hkl indices then you already have your answer as this will decide the packing and which cubic structure it is. i.e. h+k+l = even number then BCC. h, k, l all even or all odd then FCC, other cases HCP.
So the first three all give even number sums, but the last does not, so on your values not BCC. Similarly as all are not all even or odd, It is not FCC. You have mixed cases. So the remaining option is HCP.
However, for this to be true you need to say how you derived your hkl values in the first place. I must say your data do not look anything like the indium oxide that I have in my database. The pattern is very sparse, indicating missing peaks. And there is very significant preferred orientation.
d-spacing is found using the Bragg equation from your angular positions.
lattice constants are found by indexing.
There are very many discussion on here that discuss these processes and I suggest that you do a little research. Or even read a book about XRD!
Regarding BCC etc., if you know the hkl indices then you already have your answer as this will decide the packing and which cubic structure it is. i.e. h+k+l = even number then BCC. h, k, l all even or all odd then FCC, other cases HCP.
So the first three all give even number sums, but the last does not, so on your values not BCC. Similarly as all are not all even or odd, It is not FCC. You have mixed cases. So the remaining option is HCP.
However, for this to be true you need to say how you derived your hkl values in the first place. I must say your data do not look anything like the indium oxide that I have in my database. The pattern is very sparse, indicating missing peaks. And there is very significant preferred orientation.
Hi Indra,
I have made a plot from your data and I can't see a peak in 21 2-theta degrees. I think it is only noise. d-spacing using Bragg's Law and Cu-k_alpha radiation of 1.54 Â is:
(32,812) d =2,7294 Â;
(61,568) d=1,5062 Â;
(69,00) d=1,361 Â.
I have also calculated the size of cubic cell using d-spacing and the indexes (except for the last, which I used 6-3-2) but the values do not match:
(32,812) a = 9,455 Â
(61,568) a = 9,991 Â
(69,00) a = 9,526 Â
How did you find these indexes?
I agree with Ian, your sample is high oriented and some peaks may be hidden in the background. It may be due the method you used.
- hello william, i just referred the research paper, i didn't calculated. Thank you so much.
Hi,
Aside from the Bragg's equation, you will need to know the K-Alpha value of the source you use. See this webpage for very useful template, material and reference
https://pubs.usgs.gov/of/2001/of01-041/htmldocs/methods/2theta2d.htm
For calculating d-spacing and lattice constant from XRD data, there is a individual formula for each crystal system. Follow the documents attached.
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