Ndo Nd native oxide NdF3 Nd2O3  Nd2(SO4)3 NdPO4 NdPO4     Basic

XPS Spectra
Neodymium (Nd) 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.

Neodymium metal  (Ndo)
Survey, Peak-fits, BEs, FWHMs, and Peak Labels

→  Periodic Table   → Six (6) BE Tables
Survey Spectrum from Ndo
Freshly exposed bulk, Flood gun is OFF, Ag (3d5/2) FWHM = 1.3 eV
→  Periodic Table  → Six (6) BE Tables
Nd (3d) Spectrum from Ndo – Raw
Fresh exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 0.75 eV		 Nd (3d) Spectrum from Ndo – Peak-Fit
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 0.75 eV
→  Periodic Table   → Six (6) BE Tables
Nd (3d) Spectrum from Ndo – Extended
Fresh exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 0.75 eV		 Nd (3d) Spectrum from Ndo – Expanded
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 0.75 eV
   
→  Periodic Table  → Six (6) BE Tables
Nd (4p-4s) Spectrum from Ndo – Raw
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 0.75 eV		 Nd (4p-4s) Spectrum from Ndo – Peak-Fit
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 0.75 eV
na 
→  Periodic Table  → Six (6) BE Tables
Nd (4d) Spectrum from Ndo – Raw
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 1.3 eV		 Nd (4d) Spectrum from Ndo – Peak-Fit
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 1.3 eV
→  Periodic Table  → Six (6) BE Tables
Nd (MNN) Auger Signals from Ndo – Raw
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 1.0 eV		 Valence Band Spectrum from Ndo – Raw
Freshly exposed bulk, Flood gun is OFF, sample is conductive, Ag FWHM = 1.0 eV
 
 
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 (Cu), PEs = 50, 100, 150 and 200 eV
→  Periodic Table 
March 2016 – Transmission Function of Thermo K-Alpha Plus 
 
Survey Spectra of Ion Etched Copper (Cu), 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 (Cu), PEs = 100, 120, 140, 160, 180 and 200 eV
 

End-of-Transmission-Function-Tests

 

 

Six (6) Chemical State Tables of Nd (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

Nd (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
Nd 60 Nd – element 980.7 eV tallest 285.0 eV The XPS Library
Nd 60 Nd-(OH)3     285.0 eV The XPS Library
Nd 60 Nd-2O3  951.2 tallest 285.0 eV The XPS Library
Nd 60 Nd-acetate     285.0 eV The XPS Library
Nd 60 Nd-CO3     285.0 eV The XPS Library
Nd 60 Nd-F3  981.9 eV tallest 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

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

C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Ulvac-PHI

Table #3

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

C (1s) BE = 284.8 eV

Chemical state Binding energy (eV), Nd (3d5/2)
Nd aluminium phosphate ~980

→  Periodic Table 

Copyright ©:  Thermo Scientific 

Table #4

Nd (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


No tables for Rare Earth materials

→  Periodic Table 

Copyright ©:  Mark Beisinger

Table #5

Nd (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
Nd 4d Nd2O3 120.8 ±0.3 120.5 ～ 121.1
Nd 3d5/2 Nd 980.8 ±0.3 980.5 ～ 981.0
Nd 3d5/2 Nd2O3 982.0 ±0.3 981.7 ～ 982.3

 

→  Periodic Table 

 

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

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

 

Histogram indicates:  980.8 eV for Ndo based on 2 literature BEs Histogram indicates:  982.5 eV for Nd2O3 based on 2 literature BEs

Table #6


NIST Database of Nd (3d5/2) & (4d5/2) 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
Nd 3d5/2 Nd2(SO4)3 984.90  Click
Nd 3d5/2 Nd2(C2O4)3 984.70  Click
Nd 3d5/2 H2O/Nd/Cu 983.20  Click
Nd 3d5/2 Nd2O3 983.10  Click
Nd 3d5/2 H2O/Nd/Cu 982.95  Click
Nd 3d5/2 O2/Nd/Cu 982.33  Click
Nd 3d5/2 O2/Nd/Cu 982.20  Click
Nd 3d5/2 Nd2O3 982.00  Click
Nd 3d5/2 Nd/Cu 981.60  Click
Nd 3d5/2 Nd/Cu 981.60  Click
Nd 3d5/2 Nd 980.85  Click
Nd 4d5/2 Nd2(SO4)3 122.50  Click
Nd 4d5/2 Nd2O3 122.10  Click
Nd 4d5/2 Nd2(C2O4)3 122.10  Click
Nd 4d5/2 NdCrO3 121.50  Click
Nd 4d5/2 Nd2O3 120.80  Click
Nd 4d5/2 Nd2O3 119.40  Click
 

 

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs

 

 

 

 

Six (6) Chemical State Tables of La (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

La (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
La 57 La – element 835.9 eV   285.0 eV The XPS Library
La 57 La-2O3 834.5 eV  (838.5 eV)   285.0 eV The XPS Library
La 57 La-2(CO3)3-6H2O 834.5 eV  (838.6 eV)   285.0 eV The XPS Library
La 57 La-F3 837.1 eV tallest peak 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

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

C (1s) BE = 284.8 eV

→  Periodic Table 

Copyright ©:  Ulvac-PHI

Table #3

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

C (1s) BE = 284.8 eV

Chemical state Binding energy (eV), La (3d5/2)
La2O3 834.5
La(OH)3 834.7
La2(CO3)3 835

→  Periodic Table 

Copyright ©:  Thermo Scientific 

Table #4

La (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

 

No BE Energy Table Available

→  Periodic Table 

Copyright ©:  Mark Beisinger

Table #5

La (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
La 3d5/2 La2O3 834.4 ±0.8 833.6 ～ 835.2
La 3d5/2 La 835.9 ±0.3 835.6 ～ 836.2
La 3d5/2 LaH2 838.7 ±0.3 838.4 ～ 839.0

 

→  Periodic Table 

 


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

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

Histogram indicates:  835.9 eV for Lao based on 3 literature BEs Histogram indicates:  834.2 eV for La2O3 based on 5 literature BEs

Table #6


NIST Database of La (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
La 4d5/2 LaF3/Au 99.20  Click
La 4d5/2 LaNiO3 100.90  Click
La 4d5/2 LaCu0.5Zr0.5Ox 101.20  Click
La 4d5/2 La2O3 101.20  Click
La 4d5/2 La2O3 101.30  Click
La 4d5/2 LaCu0.7Zr0.3Ox 101.40  Click
La 4d5/2 LaCu0.3Zr0.7Ox 101.40  Click
La 4d5/2 La2O3 101.40  Click
La 4d5/2 LaAlO3 101.50  Click
La 4d5/2 La2O3 101.50  Click
La 4d5/2 LaCuOx 101.60  Click
La 4d5/2 CrLaO3 101.70  Click
La 4d5/2 La2O3 102.10  Click
La 4d5/2 LaZrOx 102.10  Click
La 4d5/2 LaCrO3 102.20  Click
La 4d5/2 La2O3 102.90  Click
La 4d5/2 La2O3 102.90  Click
La 4d5/2 La 103.70  Click
La 4d5/2 La 104.00  Click
La 4d5/2 La2(SO4)3 104.40  Click
La 4d5/2 La2(C2O4)3 104.60  Click
La 3d5/2 La2O3 832.50  Click
La 3d5/2 CrLaO3 833.00  Click
La 3d5/2 O2/La/Cu 833.20  Click
La 3d5/2 La2O3 833.70  Click
La 3d5/2 O2/La/Cu 834.00  Click
La 3d5/2 La/Cu 834.40  Click
La 3d5/2 La2O3 834.80  Click
La 3d5/2 La2O3 835.00  Click
La 3d5/2 La2O3 835.10  Click
La 3d5/2 LaSb 835.40  Click
La 3d5/2 La 835.90  Click
La 3d5/2 La 835.90  Click
La 3d5/2 La/Cu 836.00  Click
La 3d5/2 LaPO4 836.10  Click
La 3d5/2 La/Cu 836.40  Click
La 3d5/2 LaH2 837.20  Click
La 3d5/2 La2(C2O4)3 837.20  Click
La 3d5/2 La2(SO4)3 837.40  Click
La 3d5/2 O2/La/Cu 837.50  Click
La 3d5/2 LaH3 838.80  Click
La 3d5/2 LaH3 838.80  Click

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs