Help Jessica Identify XRD Pattern

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Discussion Overview

The discussion revolves around identifying an X-ray diffraction (XRD) pattern submitted by a user named Jessica. Participants explore methods and considerations for analyzing the XRD data, particularly in the context of determining the material's characteristics, including its crystallinity and potential composition.

Discussion Character

  • Exploratory
  • Technical explanation
  • Conceptual clarification
  • Debate/contested
  • Experimental/applied

Main Points Raised

  • Jessica seeks help in identifying an XRD pattern, noting that the material is amorphous.
  • One participant suggests that identifying the material solely from angular distribution is not feasible, emphasizing the need to calculate d-spacing and suggesting that the weak peaks may not correspond to known materials.
  • Another participant proposes a series of questions to consider when analyzing XRD spectra, such as the type of crystal structure and the crystallinity of the sample, indicating that context is crucial for accurate identification.
  • There is mention of the limitations of using simple rocking curves for analysis and the suggestion to use reciprocal space maps for better quantification of crystallinity.
  • One participant recommends using X-ray photoelectron spectroscopy (XPS) to determine elemental composition, while another cautions that analyzing XPS data can be complex and prone to errors in the literature.

Areas of Agreement / Disagreement

Participants express varying opinions on the feasibility of identifying the material from the XRD pattern. While some agree on the need for additional analysis and context, there is no consensus on a definitive method or outcome for identifying the material.

Contextual Notes

Participants highlight the importance of understanding the sample's crystallinity and growth method, as well as the potential complications in analyzing XPS data. There are unresolved aspects regarding the specific characteristics of the XRD pattern and the limitations of the proposed methods.

Who May Find This Useful

This discussion may be useful for individuals interested in materials science, particularly those working with XRD and XPS techniques in the analysis of crystalline and amorphous materials.

poonpoon
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Im Jessica , I got an xrd pattern that i can't figure it out. Can you guys help me to find out what it is :!):shy::cry: or can anyone give me some idea what kind of material this is.(Apart from it's an amorphous.)
 

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this file is not a virus , Its just only an xrd
 
There is no way to identify the material just from the angular distribution. The angle depends on what wavelength was used. The first step should be to calculate the d-spacing for the angles on the x-axis. Then you may try to see if these weak "peaks" may be associated with some known material. I don't think you have too much chance, there are very few features.
Just some amorphous or glassy material.
You need some chemical analysis (or x-ray fluorescence).
 
Questions to ask yourself when sorting out XRD spectra:

1) What crystal is it? BCC, FCC, HCP. Each type of crystal will have a series of forbidden reflections which can aid you in naming peaks in the spectra.

2) Do you know roughly what the crystallinity of the sample is? Is it one you have grown via MBE, for instance? Has it been grown via a bulk growth method?

3) Is your material a multilayer system? For instance a thin film on top of a tranisition metal or semiconductor like GaAs? If yes, you'll get peaks in the data from both sets of materials. This can help you identify the crystallographic orientation of the thin film relative to the substrate if it is an entirely new multilayer structure

It is almost impossible to be given a spectra and simply say "this is material [x] with [y] lattice spacing". You need to have some idea of what you've got so you have a starting point. Moreover, using a simple rocking curve (intensity vs 2-theta) is only of limited use. If you have a material you think is of decent quality with good crystallinity extended over large distances then you should take reciprocal space maps to try and quantify how crystalline the sample is and see if you have twinning or other phases in your sample.
 
You can do XPS to find the element percentage and state.
 
Yes, in principle you can do both of those things, but you have to be careful. Analysing XPS data properly is more complicated than it seems it should be and unfortunately there are papers out there in the literature that have got it wrong.
 

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