Doublet Separations #

Zr 3d = 2.4 eV

Zr 3p = 13.7 eV

Zr 4p = 1.4 eV

Common Overlaps for Zr 3d #

Ge 3s – Br 3d – I 4s – Po 4f – Yb 4d – Th 5p – Fr 5p – Tm 4d – Ba 4p – Er 4d – Se LMM (Al Ka X-rays)

Auger Energies #

Note – these are listed in KINETIC ENERGY

Zr LMM ≈ 1339 eV

Common Binding Energies – Zr 3d #

Theory and Background #

XPS of zirconium is typically performed on the Zr 3d region, which consists of a standard doublet with a separation of 2.4 eV (Figure 1). This region may overlap with Ba 4p, Br 3p, Ge 3s photoemissions, as well as with the Se LMM auger. High oxidation state Zr (e.g. ZrO₂) may also overlap with I 4s and B 1s photoemissions (although both a relatively weak emissions) as well as the stronger P 2p. The Zr 3d_5/2 peak should provide sufficient data for peak fitting of Zr phosphates however.

Experimental Advice #

When analysing Zr with Br, record together with a slightly wider window range. These can be deconvoluted without too much difficulty. 

Zr oxide is known to be particularly sensitive to charge build-up, ensure flood gun settings are thoroughly checked before measurement. Run single scans before and after measurement to check for changes due to charging. Multiple spot analysis to assess spatial charge differences is also advised.

Data Analysis Guidance #

Zirconium metal exhibits significant asymmetry, and may be fit with a lineshape such as LF(0.525,1.4,50,125)

Reference Datasets #

Coming soon

References #