Yo Y2O3 Y2(CO3)3 YAlO3 YVO4   YPO4  Y2S3 Y2(SO4)3 YF3  

Basic XPS Information Section

The Basic XPS Information Section provides fundamental XPS spectra, BE values, FWHM values, BE tables, overlays of key spectra, histograms and a table of XPS parameters.
The Advanced XPS Information Section is a collection of advanced spectra, overlays of key spectra, peak-fit advice, data collection guidance, material info,
common contaminants, degradation during analysis, auto-oxidation, gas capture study, valence band spectra, Auger spectra, and more.
Published literature references, and website links are summarized at the end of the advanced section.
→  Periodic Table – HomePage                     XPS Database of Polymers               → Six (6) BE Tables


Yttrium (Y)

 

Xenotime – YPO4 Yttrium – Yo Lecoqite – Na3Y(CO3)3-6H2O

 

  Page Index
  • Expert Knowledge & Explanations


Yttrium (Yo) Metal

Peak-fits, BEs, FWHMs, and Peak Labels

  .
Yttrium (Yo) Metal
Y (3d) Spectrum – raw spectrum
ion etched clean		 Yttrium (Yo) Metal
Peak-fit of Y (3d) Spectrum
w/o asymm
→  Periodic Table – HomePage  
Yttrium (Yo) Metal
Y (3d) Spectrum – extended range 
 Yttrium (Yo) Metal
Peak-fit of Y (3d) Spectrum (w asymm)
 

Survey Spectrum of Yttrium (Yo) Metal
with Peaks Integrated, Assigned and Labelled

 

 
→  Periodic Table 

XPS Signals for Yttrium, (Yo) Metal

Spin-Orbit Term,  BE (eV) Value, and Scofield σ for Aluminum Kα X-rays (1486 eV, 8.33 Ang)

Overlaps Spin-Orbit Term BE (eV) Value Scofield σ from 1486 eV X-rays IMFP (TPP-2M) in Å
N (1s) overlaps Y (3s) 395 1.98 29.4
Y (3p1/2) 312 2.44 31.4
Y (3p3/2) 300 4.75 31.4
Y (3d3/2) 157.9 2.44 34.3
Si (2s) overlaps Y (3d5/2) 155.9 3.54 34.3
Ga (3d) overlaps Y (4s) 46 0.329 36.5
O (2s) overlaps Y (4p) 25 0.91 36.9

σ:  abbreviation for the term Scofield Photoionization Cross-Section which is used with IMFP and TF to generate RSFs and atom% quantitation

Plasmon Peaks

~11 eV

Auger Peaks

Energy Loss:  ~13 eV above peak max
Expected Bandgap for Y2O3: 5.5-6.0 eV

*Scofield Cross-Section (σ) for C (1s) = 1.0

→  Periodic Table 

 

Valence Band Spectrum from Yttrium, Yo Metal
 Fresh exposed bulk produced by extensive Ar+ ion etching

 

 

Plasmon Peaks from Yo Metal
 Fresh exposed bulk produced by extensive Ar+ ion etching

Y (3d) – Extended Range Spectrum Y (3d) – Extended Range Spectrum – Vertically Zoomed
→  Periodic Table 
 

Y (LMM) Auger Peaks from Yo Metal
 Fresh exposed bulk produced by extensive Ar+ ion etching
Yo Metal – raw Yo Metal – Peak-fit

Features Observed

  • xx
  • xx
  • xx

→  Periodic Table 
 

Artefacts Caused by Argon Ion Etching

Yttrium Carbide(s)

can form when ion etched Reactive Metal Surfaces capture
Residual UHV Gases (CO, H2O, CH4 etc)

Argon Trapped in Yo

can form when Argon Ions are used
to removed surface contamination
 

Side-by-Side Comparison of
Fresh Y Native Oxide & Yttrium Oxide (Y2O3)
Peak-fits, BEs, FWHMs, and Peak Labels
  .
Fresh Y Native Oxide (age 5 minutes, scraped in air) Y2O3 (contaminated with Y2(CO3)3)
Y (3d) from Y Native Oxide
Flood Gun OFF
As-Measured, C (1s) at 286.7 eV 		 Y (3d) from Y2O3 – pressed pellet
Flood Gun ON
Charge Referenced to C (1s) at 285.0 eV

 
→  Periodic Table 
  . 
Fresh Y Native Oxide (age: 5 minutes, scraped in air) Y2O3 (contaminated with Y2(CO3)3)
C (1s) from Y Native Oxide
As-Measured, C (1s) at 286.7 eV (Flood Gun OFF)
C (1s) shifts by 1.8 eV for Native Y Oxide but Y BE does not!

C (1s) from Y2O3 – pressed pellet 
Flood Gun ON
Charge Referenced to C (1s) at 285.0 eV
Y Auger Peaks Overlap C (1s)

→  Periodic Table 
  . 
Fresh Y Native Oxide (age 5 minutes, scraped in air) Y2O3  (contaminated with Y2(CO3)3)
O (1s) from Y Native Oxide
As-Measured, C (1s) at 286.7 eV
Flood Gun OFF

O (1s) from Y2O3 – pressed pellet 
Flood Gun ON
Charge Referenced to C (1s) at 285.0 eV


→  Periodic Table

 

 

Survey Spectrum of FRESH Yttrium (Y) Native-Oxide
with Peaks Integrated, Assigned and Labelled
(age:  5 minutes, scraped in air)

→  Periodic Table 

 

 

Survey Spectrum of Yttrium Oxide, Y2O3
with Peaks Integrated, Assigned and Labelled
(contaminated with Y2(CO3)3)


→  Periodic Table  

Overlays of Y (3d) Spectra for
Fresh Y Native-Oxide and Y2O3 (contaminated with Y2(CO3)3)

Caution: BEs from Grounded Native Oxides can be Misleading if Flood Gun is ON

 Overlay of Yo metal and Y Native Oxide – Y (3d)
Native Oxide C (1s) = 286.7 eV  (Flood gun OFF)
Chemical Shift: ~2.8 eV
  Overlay of Yo metal and Y2O3 – Y (3d)
Pure Oxide C (1s) = 285.0 eV
Chemical Shift: 0.8 eV
 
→  Periodic Table  Copyright ©:  The XPS Library 

 

Overlay of Y (3d)
Yo Metal, Y Native Oxide, & Y2O3  

Yo metal to Y2O3:     Y (3d) Chemical Shift:     0.8 eV
Yo metal to native Y-oxide:     Y (3d)  Chemical Shift:  2.8 eV

Features Observed

  • xx
  • xx
  • xx

→  Periodic Table 

 

Valence Band Spectra
Yo and Y2O3  (contaminated with Y2(CO3)3)

Yo
Ion etched clean		 Y2O3 – 3 mm pressed pellet – (contaminated with Y2(CO3)3)
Flood gun is ON,  Charge referenced so C (1s) = 285.0 eV

Overlay of Valence Band Spectra
for Yo metal and Y2O3  (contaminated with Y2(CO3)3)

Features Observed

  • xx
  • xx
  • xx

→  Periodic Table 

 

Yttrium Minerals, Gemstones, and Chemical Compounds

 
Keiviite – Y2Si2O7 Gagarinite – NaCaYF6 Chiappinoite – Y2Mn(Si3O7)4 Fergusonite – YNbO4

→  Periodic Table 

 

Six (6) Chemical State Tables of Y (3d) BEs

 

  • The XPS Library Spectra-Base
  • PHI Handbook
  • Thermo-Scientific Website
  • XPSfitting Website
  • Techdb Website
  • NIST Website

→  Periodic Table 

 

Notes of Caution when using Published BEs and BE Tables from Insulators and Conductors:

  • Accuracy of Published BEs
    • The accuracy depends on the calibration BEs used to calibrate the energy scale of the instrument.  Cu (2p3) BE can vary from 932.2 to 932.8 eV for old publications 
    • Different authors use different BEs for the C (1s) BE of the hydrocarbons found in adventitious carbon that appears on all materials and samples.  From 284.2 to 285.3 eV
    • The accuracy depends on when the authors last checked or adjusted their energy scale to produce the expected calibration BEs
  • Worldwide Differences in Energy Scale Calibrations
    • For various reasons authors still use older energy scale calibrations 
    • Some authors still adjust their energy scale so Cu (3d5/2) appears at 932.2 eV or 932.8 eV because this is what the maker taught them
    • This range causes BEs in the higher BE end to be larger than expected 
    • This variation increases significantly above 600 eV BE
  • Charge Compensation
    • Samples that behave as true insulators normally require the use of a charge neutralizer (electron flood gun with or without Ar+ ions) so that the measured chemical state spectra can be produced without peak-shape distortions or sloping tails on the low BE side of the peak envelop. 
    • Floating all samples (conductive, semi-conductive, and non-conductive) and always using the electron flood gun is considered to produce more reliable BEs and is recommended.
  • Charge Referencing Methods for Insulators
    • Charge referencing is a common method, but it can produce results that are less reliable.
    • When an electron flood gun is used, the BE scale will usually shift to lower BE values by 0.01 to 5.0 eV depending on your voltage setting. Normally, to correct for this flood gun induced shift, the BE of the hydrocarbon C (1s) peak maximum from adventitious carbon is used to correct for the charge induced shift.
    • The hydrocarbon peak is normally the largest peak at the lowest BE. 
    • Depending on your preference or training, the C (1s) BE assigned to this hydrocarbon peak varies from 284.8 to 285.0 eV.  Other BEs can be as low as 284.2 eV or as high as 285.3 eV
    • Native oxides that still show the pure metal can suffer differential charging that causes the C (1s) and the O (1s) and the Metal Oxide BE to be larger
    • When using the electron flood gun, the instrument operator should adjust the voltage and the XY position of the electron flood gun to produce peaks from a strong XPS signal (eg O (1s) or C (1s) having the most narrow FWHM and the lowest experimentally measured BE. 

→  Periodic Table 

Table #1

Y (3d5/2) Chemical State BEs from:  “The XPS Library Spectra-Base”

C (1s) BE = 285.0 eV for TXL BEs
and C (1s) BE = 284.8 eV for NIST BEs

Element Atomic # Compound As-Measured by TXL or NIST Average BE Largest BE Hydrocarbon C (1s) BE  Source
Y 39 Y – element 155.9 eV 285.0 eV The XPS Library
Y 39 YBaCuOx 156.0 eV 285.0 eV The XPS Library
Y 39 Y2O3 (N*6) 156.6 eV 157.0 eV 284.8 eV Avg BE – NIST
Y 39 Y2(CO3)3 (N*2) 156.9 eV 284.8 eV Avg BE – NIST
Y 39 Y2S3 (N*2) 157.3 ev 157.6 eV 284.8 eV Avg BE – NIST
Y 39 Y-N (N*1) 157.4 eV 284.8 eV Avg BE – NIST
Y 39 Y-I3 (N*1) 158.3 eV 284.8 eV Avg BE – NIST
Y 39 Y-2O3 158.5 eV 285.0 eV The XPS Library
Y 39 Y-Cl3 (N*2) 158.7 eV 158.9 eV 284.8 eV Avg BE – NIST
Y 39 Y2(SO4)3 (N*3) 158.9 eV 160.0 eV 284.8 eV Avg BE – NIST
Y 39 Y-F3 (N*2) 159.0 eV 159.1 eV 284.8 eV Avg BE – NIST
Y 39 Y-(OH)3 285.0 eV The XPS Library
Y 39 Y-C 285.0 eV The XPS Library

Charge Referencing Notes

  • (N*number) identifies the number of NIST BEs that were averaged to produce the BE in the middle column.
  • The XPS Library uses Binding Energy Scale Calibration with Cu (3d5/2) BE = 932.62 eV and Au (4f7/2) BE = 83.98 eV.  BE (eV) Uncertainty Range:  +/- 0.2 eV
  • Charge Referencing of insulators is defined such that the Adventitious Hydrocarbon C (1s) BE (eV) = 285.0 eV.  NIST uses C (1s) BE = 284.8 eV 
  • Note:   Ion etching removes adventitious carbon, implants Ar (+), changes conductivity of surface, and degrades chemistry of various chemical states.
  • Note:  Ion Etching changes BE of C (1s) hydrocarbon peak.
  • TXL – abbreviation for: “The XPS Library” (https://xpslibrary.com).  NIST:  National Institute for Science and Technology (in USA)

→  Periodic Table 

Table #2

Y (3d5/2) Chemical State BEs from:  “PHI Handbook”

C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Ulvac-PHI

Table #3

Y (3d5/2) Chemical State BEs from:  “Thermo-Scientific” Website

C (1s) BE = 284.8 eV

Chemical state Binding energy (eV), Y (3d5/2)
Y metal 156
Y2O3 156.4
Y carbonate 157.7

→  Periodic Table 

Copyright ©:  Thermo Scientific 

Table #4

Y (3d5/2) Chemical State BEs from:  “XPSfitting” Website

Chemical State BE Table derived by Averaging BEs in the NIST XPS database of BEs
C (1s) BE = 284.8 eV

 

→  Periodic Table 

Copyright ©:  Mark Beisinger

Table #5

Y (3d5/2) Chemical State BEs from:  “Techdb.podzone.net” Website

 

XPS Spectra – Chemical Shift | Binding Energy
C (1s) BE = 284.6 eV

XPS(X線光電子分光法)スペクトル 化学状態 化学シフト ケミカルシフト

Element Level Compound B.E.(eV) min max
Y 3d5/2 Y 155.8 ±0.3 155.5 ～ 156.0
Y 3d5/2 Y2O3 156.7 ±0.3 156.4 ～ 157.0

 

→  Periodic Table 

 


Histograms of NIST BEs for Y (3d5/2) BEs

Important Note:  NIST Database defines Adventitious Hydrocarbon C (1s) BE = 284.8 eV for all insulators.

Histogram indicates:  155.9 eV for Yo based on 7 literature BEs Histogram indicates:  157.0 eV for Y2O3 based on 7 literature BEs

Table #6


NIST Database of Y (3d5/2) Binding Energies

NIST Standard Reference Database 20, Version 4.1

Data compiled and evaluated
by
Alexander V. Naumkin, Anna Kraut-Vass, Stephen W. Gaarenstroom, and Cedric J. Powell
©2012 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.

Important Note:  NIST Database defines Adventitious Hydrocarbon C (1s) BE = 284.8 eV for all insulators.

Element Spectral Line Formula Energy (eV) Reference
Y 3d5/2 Y 154.00  Click
Y 3d5/2 Y/Si 154.30  Click
Y 3d5/2 AlNiY 155.60  Click
Y 3d5/2 Y 155.80  Click
Y 3d5/2 Y 155.80  Click
Y 3d5/2 Y 155.80  Click
Y 3d5/2 Y 155.80  Click
Y 3d5/2 Y 155.87  Click
Y 3d5/2 Y 155.90  Click
Y 3d5/2 Y 155.90  Click
Y 3d5/2 YOx/Y 155.90  Click
Y 3d5/2 O2/AlNiY 155.90  Click
Y 3d5/2 Y/Si 156.00  Click
Y 3d5/2 AlNiYOx 156.00  Click
Y 3d5/2 Y 156.10  Click
Y 3d5/2 Nd0.5Y0.5Ba2Cu3O6 156.10  Click
Y 3d5/2 YHx 156.20  Click
Y 3d5/2 Y/Si 156.20  Click
Y 3d5/2 Y/Cu 156.20  Click
Y 3d5/2 Y/Cu 156.20  Click
Y 3d5/2 YBa2Cu3O7 156.20  Click
Y 3d5/2 YBa2Cu3O6.1 156.30  Click
Y 3d5/2 Y2O3 156.40  Click
Y 3d5/2 Y/GaAs 156.40  Click
Y 3d5/2 Y/GaAs 156.40  Click
Y 3d5/2 YH2 156.50  Click
Y 3d5/2 Y/Si 156.50  Click
Y 3d5/2 Y2O3 156.60  Click
Y 3d5/2 Y2O3 156.60  Click
Y 3d5/2 Y2O3 156.70  Click
Y 3d5/2 Y0.16ZrOx 156.70  Click
Y 3d5/2 Y2O3 156.80  Click
Y 3d5/2 Y0.16ZrOx 156.80  Click
Y 3d5/2 Y2O3 156.90  Click
Y 3d5/2 Y2(CO3)3.3H2O 156.90  Click
Y 3d5/2 Y2(CO3)3.3H2O 156.90  Click
Y 3d5/2 Y2(CO3)3.3H2O 156.90  Click
Y 3d5/2 Y2O3 157.00  Click
Y 3d5/2 Y2S3 157.30  Click
Y 3d5/2 YN0.18 157.40  Click
Y 3d5/2 Y2S3 157.60  Click
Y 3d5/2 O2/AlNiY 157.60  Click
Y 3d5/2 YH3 157.70  Click
Y 3d5/2 (Y2O3)10(ZrO2)90 157.90  Click
Y 3d5/2 Y2O3/SiO2/Si 158.00  Click
Y 3d5/2 Y/Si 158.20  Click
Y 3d5/2 (CH3(CH2)18C(O)O)3Y 158.23  Click
Y 3d5/2 Y2(C2O4)3.9H2O 158.30  Click
Y 3d5/2 Y2(C2O4)3.9H2O 158.30  Click
Y 3d5/2 YI3 158.30  Click
Y 3d5/2 O2/Y/Si 158.40  Click
Y 3d5/2 YOx/Y 158.50  Click
Y 3d5/2 Y2O3 158.60  Click
Y 3d5/2 YBr3 158.70  Click
Y 3d5/2 YCl3 158.70  Click
Y 3d5/2 Y2(SO4)3 158.90  Click
Y 3d5/2 Y2(SO4)3 158.90  Click
Y 3d5/2 YCl3 158.90  Click
Y 3d5/2 YF3 159.00  Click
Y 3d5/2 YF3 159.10  Click
Y 3d5/2 Y2(C2O4)3 159.70  Click
Y 3d5/2 Y2(SO4)3 160.00  Click

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs

 

 

→  Periodic Table 

 

Advanced XPS Information Section

Expert Knowledge, Spectra, Features, Guidance and Cautions
for XPS Research Studies on Yttrium Materials

 

 

Expert Knowledge Explanations

→  Periodic Table 

 

 

Yttrium Chemical Compounds


Peak-fits and Overlays of Chemical State Spectra

Pure Yttrium, Yo:  Y (3d)
Cu (2p3/2) BE = 932.6 eV		 Y2O3:  Y (3d)
C (1s) BE = 285.0 eV		 YF3:  Y (3d)
C (1s) BE = 285.0 eV

Features Observed

  • xx
  • xx
  • xx

→  Periodic Table 

 

Overlay of Y (3d) Spectra shown Above

C (1s) BE = 285.0 eV

Chemical Shift between Y and Y2O3:  0.9 eV
 Chemical Shift between Y and YF3:  4.2 eV

 

→  Periodic Table 

 

Yttrium Oxide (Y2O3)
3 mm pressed pellet

Survey Spectrum from Y2O3
Flood gun is ON, C (1s) BE = 285.0 eV
 Y (3d) Chemical State Spectrum from Y2O3
Flood gun is ON, C (1s) BE = 285.0 eV
  . 
O (1s) Chemical State Spectrum from Y2O3
Flood gun is ON, C (1s) BE = 285.0 eV
 C (1s) Chemical State Spectrum from Y2O3
Flood gun is ON, C (1s) BE = 285.0 eV
  . 
Y (3s) Chemical State Spectrum from Y2O3
Flood gun is ON, C (1s) BE = 285.0 eV
 Y (3p) Chemical State Spectrum from Y2O3
Flood gun is ON, C (1s) BE = 285.0 eV
  . 
Valence Band Spectrum from Y2O3
Flood gun is ON, C (1s) BE = 285.0 eV
  


Energy Loss Features for
Y (3d) in Y2O3

 

 

Multiplet Splitting Features for
Yttrium Compounds

Y metal – NO Splitting for Y (3s) Y2O3 – NO Splitting for Y (3s)

 

Features Observed

  • xx
  • xx
  • xx

→  Periodic Table 

 

 

 

Yttrium Chemical Compounds

 

Yttrium Fluoride, YF3

Survey Spectrum Y (3d)
  . 
F (1s) Y (3p)
  . 
Valence Band Y (4d), F (2s) and Y (4p) and Y (4s)

→  Periodic Table 

 

 

 

Yttrium Sulfate, Y2(SO4)3
powder
(bi-sulfate contamination?)

Survey Spectrum Y (3d)
.
O (1s) S (2p)
.
Valence Band  

 

 

Quantitation Details and Information

Quantitation by XPS is often incorrectly done, in many laboratories, by integrating only the main peak, ignoring the Electron Loss peak, and the satellites that appear as much as 30 eV above the main peak.  By ignoring the electron loss peak and the satellites, the accuracy of the atom% quantitation is in error.

When using theoretically calculated Scofield cross-section values, the data must be corrected for the transmission function effect, use the calculated TPP-2M IMFP values, the pass energy effect on the transmission function, and the peak area used for calculation must include the electron loss peak area, shake-up peak area, multiplet-splitting peak area, and satellites that occur within 30 eV of the main peak.

 

Quantitation from Pure, Homogeneous Binary Compound
composed of Yttrium – Y2O3

This section is focused on measuring and reporting the atom % quantitation that results by using:

  • Scofield cross-sections,
  • Spectra corrected to be free from Transmission Function effects
  • A Pass Energy that does not saturate the detector system in the low KE range (BE = 1000-1400 eV)
  • A focused beam of X-ray smaller than the field of view of the lens
  • An angle between the lens and the source that is ~55 deg that negates the effects of beta-asymmetry
  • TPP-2M inelastic mean free path values, and
  • Either a linear background or an iterated Shirley (Sherwood-Proctor) background to define peak areas

The results show here are examples of a method being developed that is expected to improve the “accuracy” or “reliability” of the atom % values produced by XPS.

 

→  Periodic Table 

 

 

 

Flood Gun Effect on Native Oxide of Yttrium

 

Native Oxide of Yttrium Sheet – Sample GROUNDED
versus
Native Oxide of Yttrium Sheet – Sample FLOATING

 

 

Native Oxide of Yttrium Sheet – Sample Grounded

Electron Flood Gun:  0 Voltage (FG OFF), Min Voltage versus Max Voltage

Y (3d) O (1s) C (1s)
→  Periodic Table 

 

Native Oxide of Yttrium Sheet – Sample Floating

Electron Flood Gun:  0 Voltage (FG OFF), Min Voltage versus Max Voltage

Y (3d) O (1s) C (1s)

→  Periodic Table 

 

 

XPS Study of UHV Gas Captured by Freshly Ion Etched Yttrium
Reveals Chemical Shifts and Chemical States that Develop from Highly Reactive Pure Yo

Surface was scraped and strongly Ar+ ion etched to remove all contaminants, and
then allowed to react overnight with the UHV Gases – CO, H2, H2O, O2 & CH4
that normally reside inside on the walls of the chamber, on the sample stage,
and on the nearby un-etched surface a total of 10-14 hours.  UHV pump was a Cryopump.
Initial spectra are at the front.  Final spectra are at the rear. Flood gun is OFF.
Y (3d) Signal
  O (1s) Signal C (1s) Signal
Copyright ©:  The XPS Library
 

AES Survey of Native Y-Oxide
using Charge Control
 
     

Features Observed

  • xx
  • xx
  • xx

→  Periodic Table 

 

Yttrium Alloys

   
XxCu XxCu
→  Periodic Table   
XxCu XxCu

 

Copyright ©:  The XPS Library 

 

 

XPS Facts, Guidance & Information

→  Periodic Table 

    Element Yttrium (Y)
  
    Primary XPS peak used for Peak-fitting: Y (3d)  
    Spin-Orbit (S-O) splitting for Primary Peak: Spin-Orbit splitting for “d” orbital, ΔBE = 2.1 eV
  
    Binding Energy (BE) of Primary XPS Signal: 158 eV
  
    Scofield Cross-Section (σ) Value: Y (3d5/2) = 3.54     Y (3d3/2) = 2.44
  
    Conductivity: Y resistivity =  
Native Oxide suffers Differential Charing		  
    Range of Y (3d) Chemical State BEs: xx – xx eV range   (Yo to YF3)  
Signals from other elements that overlap
Y (3d) Primary Peak:		   xx (xx)
Bulk Plasmons:   ~xx eV above peak max for pure
Shake-up Peaks: xx
Multiplet Splitting Peaks:   xx

 

 

 General Information about
XXX Compounds:		   xx  
Cautions – Chemical Poison Warning

xx 

Copyright ©:  The XPS Library 

→  Periodic Table 

 

Information Useful for Peak-fitting Y (3d)

  • FWHM (eV) of Y (3d5/2) for Pure Yo :  ~0.7 eV using 25 eV Pass Energy after ion etching:
  • FWHM (eV) of Y (3d5/2) for Y2O3:  ~1.7 eV using 50 eV Pass Energy  (before ion etching)
  • Binding Energy (BE) of Primary Signal used for Measuring Chemical State Spectra:  155 eV for Y (3d5/2) with +/- 0.2 uncertainty
  • List of XPS Peaks that can Overlap Peak-fit results for Y (3d):  Si (2s)

→  Periodic Table 

 

General Guidelines for Peak-fitting XPS Signals

  • Typical Energy Resolution for Pass Energy (PE) setting used to measure Chemical State Spectra on Various XPS Instruments
    • Ag (3d5/2) FWHM (eV) = ~0.95 eV for PE 50 on Thermo K-Alpha
    • Ag (3d5/2) FWHM (eV) = ~1.00 eV for PE 80 on Kratos Nova
    • Ag (3d5/2) FWHM (eV) = ~0.95 eV for PE 45 on PHI VersaProbe
  • FWHM (eV) of Pure Elements: Ranges from 0.4 to 1.0 eV across the periodic table
  • FWHM of Chemical State Peaks in any Chemical Compound:  Ranges from 1.1 to 1.6 eV  (in rare cases FWHM can be 1.8 to 2.0 eV)
  • FWHM of Pure Element versus FWHM of Oxide:  Pure element FWHM << Oxide FWHM  (e.g. 0.8 vs 1.5 eV, roughly 2x)
  • If FWHM Greater than 1.6 eV:  When a peak FWHM is larger than 1.6 eV, it is best to add another peak to the peak-fit envelop.
  • BE (eV) Difference in Chemical States: The difference in chemical state BEs is typically 1.0-1.3 eV apart.  In rare cases, <0.8 eV.
  • Number of Peaks to Use:  Use minimum. Do not use peaks with FWHM < 1.0 eV unless it is a or a conductive compound.
  • Typical Peak-Shape:  80% G: 20% L,   or Voigt : 1.4 eV Gaussian and 0.5 eV Lorentzian
  • Spin-Orbit Splitting of Two Peaks (due to Coupling):  The ratio of the two (2) peak areas must be constrained.

Notes:

  • Other Oxidation States can appear as small peaks when peak-fitting
  • Pure element signals normally have asymmetric tails that should be included in the peak-fit.
  • Gaseous state materials often display asymmetric tails due to vibrational broadening.
  • Peak-fits of C (1s) in polymers include an asymmetric tail when the energy resolution is very high.
  • Binding energy shifts of some compounds are negative due to unusual electron polarization.

→  Periodic Table 

 

Contaminants Specific to Yttrium

  • Yttrium develops a thick native oxide due to the reactive nature of clean Yttrium .
  • The native oxide of Y Ox is xxx nm thick.
  • Yttrium thin films often have a low level of iron (Fe) in the bulk as a contaminant or to strengthen the thin film
  • Yttrium forms a low level of carbide when the surface is ion etched inside the analysis chamber

 

Commonplace Contaminants

  • Carbon and Oxygen are common contaminants that appear on nearly all surfaces. The amount of Carbon usually depends on handling.
  • Carbon is usually the major contaminant.  The amount of carbon ranges from 5-50 atom%.
  • Carbon contamination is attributed to air-borne organic gases that become trapped by the surface, oils transferred to the surface from packaging containers, static electricity, or handling of the product in the production environment.
  • Carbon contamination is normally a mixture of different chemical states of carbon (hydrocarbon, alcohol or ether, and ester or acid).
  • Hydrocarbon is the dominant form of carbon contamination. It is normally 2-4x larger than the other chemical states of carbon.
  • Carbonate peaks, if they appear, normally appear ~4.5 eV above the hydrocarbon C (1s) peak max BE.
  • Low levels of carbonate is common on many s that readily oxidize in the air.
  • High levels of carbonate appear on reactive oxides and various hydroxides.  This is due to reaction between the oxide and CO2 in the air.
  • Hydroxide contamination peak is due to the reaction with residual water in the lab air or the vacuum.
  • The O (1s) BE of the hydroxide (water) contamination normally appears 0.5 to 1.0 eV above the oxide peak
  • Sodium (Na), Potassium (K), Sulfur (S) and Chlorine (Cl) are common trace to low level contaminants
  • To find low level contaminants it is very useful to vertically expand the 0-600 eV region of the survey spectrum by 5-10X
  • A tiny peak that has 3 or more adjacent data-points above the average noise of the background is considerate to be a real peak
  • Carbides can appear after ion etching various reactive s.  Carbides form due to the residual CO and CH4 in the vacuum.
  • Ion etching can produce low oxidation states of the material being analyzed.  These are newly formed contaminants.
  • Ion etching polymers by using standard Ar+ ion guns will destroy the polymer, converting it into a graphitic type of carbon

→  Periodic Table 

 

Data Collection Guidance

  • Chemical state differentiation can be difficult
  • Collect principal Y (3d) peak
  • Long time exposures (high dose) to X-rays can degrade various polymers, catalysts, high oxidation state compounds
  • During XPS analysis, water or solvents can be lost due to high vacuum or irradiation with X-rays or Electron flood gun
  • Auger signals can sometimes be used to discern chemical state shifts when XPS shifts are very small

→  Periodic Table 

 

Data Collection Settings for Yttrium (Y)

  • Conductivity:  Yttrium readily develops a native oxide that is sensitive to Flood Gun – Differential Charging Possible – float sample recommended
  • Primary Peak (XPS Signal) used to measure Chemical State Spectra:  xx (3d) at xxx eV
  • Recommended Pass Energy for Measuring Chemical State Spectrum:  40-50 eV    (Produces Ag (3d5/2) FWHM ~0.7 eV)
  • Recommended # of Scans for Measuring Chemical State Spectrum:  4-5 scans normally   (Use 10-25 scans to improve S/N)
  • Dwell Time:  50 msec/point
  • Step Size:  0.1 eV/point   (0.1 eV/step or 0.1 eV/channel)
  • Standard BE Range for Measuring Chemical State Spectrum:  xxx-xxx eV
  • Recommended Extended BE Range for Measuring Chemical State Spectrum:  xxx-xxx eV
  • Recommended BE Range for Survey Spectrum:  -10 to 1,100 eV   (above 1,100 eV there are no useful XPS signals, except for Ge and Ga)
  • Typical Time for Survey Spectrum:  3-5 minutes for newer instruments, 5-10 minutes for older instruments
  • Typical Time for a single Chemical State Spectrum with high S/N:  5-10 minutes for newer instruments, 10-15 minutes for older instruments 

→  Periodic Table 

 

Effects of Argon Ion Etching

  • Carbides appear after ion etching Y and various reactive s.  Carbides form due to the residual CO and CH4 in the vacuum.
  • Ion etching can produce low oxidation states of the material being analyzed.  These are newly formed contaminants.
  • Ion etching polymers by using standard Ar+ ion guns will destroy the polymer, converting it into a graphitic type of carbon

 

→  Periodic Table 

Copyright ©:  The XPS Library 
Gas Phase XPS or UPS Spectra
Chemical State Spectra from Literature
xxx

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