Bao BaO BaCO3 BaSO4 BaF2 BaTiO3 BaZrO3 Glass 7059 BaHfF6 BaMoO4 YBaCuOx  Basic 

XPS Spectra
Barium (Ba) Compounds
The XPS Spectra section provides raw and processed survey spectra, chemical state spectra, BE values, FWHM values, and overlays of key spectra.
Atom% values from surveys are based on sample, as received, and Scofield cross-sections. Atom% values are corrected for IMFP and PE.
Peak-fits are guides for practical, real-world applications. Peak-fits are not fully optimized or designed to test any theory.

Barium Oxide  (BaO)
Survey, Peak-fits, BEs, FWHMs, and Peak Labels

Various inorganic barium compounds react very quickly with the CO2 and H2O gases in the air to form BaCO3.
At high temperatures (~500C) it is possible drive off the CO2 to form BaO.
Examples of the results of heating BaO while performing XPS are presented at the end of this page. The literature reference is:

Journal of Electron Spectroscopy and Related Phenomena 225 (2018) 55–61
X-Ray Spectroscopic Characterization of BaO, Ba(OH)2, BaCO3, and Ba(NO3)2
Authors:  Osman Karslıoglu, Lena Trotochauda, Ioannis Zegkinogloua, Hendrik Bluhma

→  Periodic Table   → Six (6) BE Tables
Survey Spectrum from BaO, exposed to Lab Air,
which quickly forms BaCO3 surface before XPS analysis starts
Freshly exposed bulk, Flood gun is ON, Ag (3d5/2) FWHM = 1.3 eV
→  Periodic Table  → Six (6) BE Tables
Ba (3d) Spectrum from BaO exposed to Lab Air – Raw
Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Ba (3d) Spectrum from BaO exposed to Lab Air – Peak-Fit
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV

 
Ba (3d) Spectrum from BaO exposed to Lab Air  – Extended 
Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Ba (3d) Spectrum from BaO exposed to Lab Air  – Expanded 
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 1.3 eV

→  Periodic Table  → Six (6) BE Tables
O (1s) Spectrum from BaO exposed to Lab Air  – Raw
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 O (1s) Spectrum from BaO exposed to Lab Air  – Peak-Fit
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV

 
→  Periodic Table  → Six (6) BE Tables
O (1s) Spectrum from BaO – Extended – from survey
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 1.3 eV		 O (1s) Spectrum from BaO – Expanded – from survey
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 1.3 eV
   
→  Periodic Table  → Six (6) BE Tables
C (1s) Spectrum from BaO exposed to Lab Air  – Uncorrected
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 280.55 eV, Ag FWHM = 0.75 eV		 C (1s) Spectrum from BaO exposed to Lab Air  – Peak-Fit 
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
 
Overlays
→  Periodic Table  → Six (6) BE Tables
Valence Band Spectra – Overlay of Bao and BaO 
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV		 Ba (3d) Spectra – Overlay of Bao and BaO 
Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
na na

End-of-spectra

Price to purchase raw data sets:
Raw spectra – VAMAS ASCII format ($6)
Raw spectra – SDP binary format ($5)
SDP v9 – $145 (3 yr license)

 

 

Transmission Function Tests
 

December 2015 – Transmission Function of Thermo K-Alpha Plus
→  Periodic Table 
Survey Spectra of Ion Etched Copper (Sc), PEs = 50, 100, 150 and 200 eV
→  Periodic Table 
March 2016 – Transmission Function of Thermo K-Alpha Plus 
 
Survey Spectra of Ion Etched Copper (Sc), PEs = 100, 150 and 200 eV
→  Periodic Table  
August 2019 – Transmission Function of Thermo K-Alpha Plus
 
Survey Spectra of HOPG (C), PEs = 20, 50, 100 and 200 eV
→  Periodic Table  
January 2022 – Transmission Function of Thermo K-Alpha Plus
Survey Spectra of Ion Etched Copper (Sc), PEs = 100, 120, 140, 160, 180 and 200 eV

End-of-Transmission-Function-Tests

 

Six (6) Chemical State Tables of Ba (3d5/2) 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 (2p3/2) 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 (2p3/2) 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

Ba (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
Ba 56 YBaCuOx 778.3 eV  285.0 eV The XPS Library
Ba 56 Ba – element  (N*4) 779.3 eV 780.7 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-O (N*4) 779.4 eV 779.9 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-OAc 779.5 eV  285.0 eV The XPS Library
Ba 56 Ba-CO3 779.8  eV  285.0 eV The XPS Library
Ba 56 Ba-CO3 (N*2) 779.8 eV 779.9 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-F2 (N*2) 779.8 eV 781.7 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-S (N*1) 779.8 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-F2 780.4  eV  285.0 eV The XPS Library
Ba 56 Ba-O 780.2  eV  285.0 eV The XPS Library
Ba 56 Ba-SO4 780.7  eV  285.0 eV The XPS Library
Ba 56 Ba-O2 (N*1) 780.8 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-(ClO4)2 (N*1) 780.9 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-H2 (N*1) 782.9 eV  284.8 eV Avg BE – NIST
Ba 56 Ba-(OH)2  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 (2p3/2) BE = 932.62 eV and Au (3d7/2) 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

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

C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Ulvac-PHI

Table #3

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

C (1s) BE = 284.8 eV

Chemical state Binding energy (eV), Ba (3d5/2)
BaCO3/BaO 780.0
BaSO4 780.1

→  Periodic Table 

Copyright ©:  Thermo Scientific 

Table #4

Ba (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

Ba (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
Ba 3d5/2 BaCrO4 779.0 ±0.3 778.7 ～ 779.2
Ba 3d5/2 BaMoO4 779.1 ±0.3 778.8 ～ 779.3
Ba 3d5/2 BaO 779.5 ±0.4 779.1 ～ 779.9
Ba 3d5/2 BaRh2O4 779.6 ±0.3 779.3 ～ 779.8
Ba 3d5/2 BaS 779.9 ±0.3 779.6 ～ 780.1
Ba 3d5/2 BaCO3 780.0 ±0.3 779.7 ～ 780.2
Ba 3d5/2 Ba 780.4 ±0.3 780.1 ～ 780.6
Ba 3d5/2 BaSO4 780.4 ±0.5 779.9 ～ 780.8
Ba 3d5/2 Ba(NO3)2 780.8 ±0.3 780.5 ～ 781.0

→  Periodic Table 

 

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

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

Histogram indicates:  780.1 eV for Bao based on 4 literature BEs Histogram indicates:  779.6 eV for BaO based on 5 literature BEs

Table #6


NIST Database of Ba (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
Ba 3d5/2 YBa2Cu3O7 778.10  Click
Ba 3d5/2 BaCrO4 778.90  Click
Ba 3d5/2 BaMoO4 779.10  Click
Ba 3d5/2 BaO 779.10  Click
Ba 3d5/2 Ba 779.30  Click
Ba 3d5/2 BaO 779.40  Click
Ba 3d5/2 BaRh2O4 779.60  Click
Ba 3d5/2 BaO 779.60  Click
Ba 3d5/2 Ba 779.80  Click
Ba 3d5/2 BaCO3 779.80  Click
Ba 3d5/2 BaF2 779.80  Click
Ba 3d5/2 BaS 779.80  Click
Ba 3d5/2 BaO 779.85  Click
Ba 3d5/2 BaCO3 779.90  Click
Ba 3d5/2 BaSO4 779.90  Click
Ba 3d5/2 BaO 779.90  Click
Ba 3d5/2 Ba/O2/Ni 780.10  Click
Ba 3d5/2 Ba(ClO3).H2O 780.20  Click
Ba 3d5/2 Ba(NO3)2 780.30  Click
Ba 3d5/2 Ba/O2 780.37  Click
Ba 3d5/2 BaSO4 780.40  Click
Ba 3d5/2 Ba 780.60  Click
Ba 3d5/2 Ba(NO3)2 780.70  Click
Ba 3d5/2 BaSO4 780.70  Click
Ba 3d5/2 Ba 780.72  Click
Ba 3d5/2 BaSO4 780.80  Click
Ba 3d5/2 BaO2 780.80  Click
Ba 3d5/2 Ba(ClO4)2 780.90  Click
Ba 3d5/2 Ba/Ca/Cd/Sr/in_montmorillonite 781.20  Click
Ba 3d5/2 BaCl2.2H2O 781.60  Click
Ba 3d5/2 BaF2 781.70  Click
Ba 3d5/2 BaH2 782.90  Click

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs

 

 

 

 

Reference XPS Spectra of BaO, Ba(OH)2, BaCO3 and Ba(NO3)2

 

Journal of Electron Spectroscopy and Related Phenomena 225 (2018) 55–61
X-Ray Spectroscopic Characterization of BaO, Ba(OH)2, BaCO3, and Ba(NO3)2
Authors:  Osman Karslıoglu, Lena Trotochauda, Ioannis Zegkinogloua, Hendrik Bluhma

Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720 USA
Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720 USA

 

 

 

 

Barium Oxide, BaO

 

 

Barium Hydroxide, Ba(OH)2

 

 

 

Barium Carbonate, BaCO3

 

 

 

Barium Nitrate, Ba(NO3)2