Doing the CASAXPS fitting software for Fe doped BaTiO3-xFe XPS data, it gives the At% . What is meant the atomic ratios of Fe2+:Fe3+ in a particular concentration of xFe in BaTiO3.
For me it comes around Fe2+:Fe3+ as 49:51. whether it may mean there is no creation of oxygen vacancy or it just simply gives the quantification of particular xFe in BaTiO3?
xFe its mean that Fe ore present in the structure of the BaTiO3
this Fe contains Fe(II) and Fe(III) the atomic ratio of Fe(II)/Fe(III)= 49.51
XPS measurents provide information regarding the contituents elements, chemical states, stoicheimetry (atomic ratio), and bonding formation in the chemical compounds. From your providing XPS data of Fe2+ (II) and Fe3+ (II) chemical states its means that the chemical compound of the perovskite BaTiO3 contain atomic percentage (at%) of Fe2+= 49 and Fe3+= 51. IT means that Fe doped BaTiO3 contains, 49 at% of Fe2+ and 51at% of Fe3+ . ie., Fe2+:Fe3+=49:51 and it just simply gives the quantification of particular xFe in BaTiO3. You can confirm whether the creation of oxygen vacancy or not by fitting tha data experimental with the software (CASXPS). If you get any peak at arount 529-534 eV then it will make sure that your sample has contained oxygen vacancy.
- XPS is a technique giving the information about the chemical composition, valency, Stoichiometry of the constituent elements in a compound, as mentioned in the earlier comment. In this case the ratio of the Fe2+ and F3+ is the ratio of the two different oxidation states in the total Fe content of your sample.
- If you want to see if there are oxygen vacancies in your sample you can surely go for refining O1s spectra in CASAXPS and look for the oxygen vacancy peaks. However, if you want to quantify the oxygen vacancies in your sample the more useful and accurate way would be to go for Titration methods.
Shalini Kathirkamu
You give no margins of errors in 51:49 for Fe2+:Fe3+ (is it too hard to use the suffixes? Or use Fe(II) and Fe(III)..). Typically in XPS we use margins of 15% or more for peak heights, areas, and derived compositions. I see your 'result' as being no different to 50:50 or 49:51.
Be very wary of any fitting software. In differing circumstances almost anything can be fitted.
- Badges
- Science method
- Similar topics
- Methodology
- Crystallography
- X-ray Diffraction