Bio Bi2O3 (BiO)2CO3 Bi2S3 Bi2(SO4)3 BiF3 BiOI Bi4Ge3O12 Bi2Te3 BiSrCuOx BiSrCaCuOx Basic 

XPS Spectra
Bismuth (Bi) 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.


Bismuth metal  (Bio)
Survey, Peak-fits, BEs, FWHMs, and Peak Labels


 Periodic Table   → Six (6) BE Tables
Survey Spectrum from Bio
Freshly exposed bulk, Flood gun is OFF, Ag (3d5/2) FWHM = 1.3 eV

 Periodic Table  → Six (6) BE Tables
Bi (4f) Spectrum from Bio Raw
Fresh exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
Bi (4f) Spectrum from Bio Peak-Fit
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV


 
Bi (4f) Spectrum from Bio Extended Range
Fresh exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
Bi (4f) Spectrum from Bio Raw – Vertically Expanded
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV


 Periodic Table  → Six (6) BE Tables
O (1s) Spectrum 2 hrs after ion etching Bio Raw
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
O (1s) Spectrum 2 hrs after ion etching BixxBio Peak-Fit
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV

 Periodic Table  → Six (6) BE Tables
C (1s) Spectrum 2 hrs after ion etching Bio Raw
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
C (1s) Spectrum 2 hrs after ion etching Bio Peak-Fit
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV

 Periodic Table  → Six (6) BE Tables
Bi (4d) Spectrum from Bio Raw
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
Bi (4d5/2) Spectrum from Bio Peak-Fit
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV

 Periodic Table  → Six (6) BE Tables
Bi (MNN) Auger Signals from Bio Raw
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
Valence Band Signals from Bio Raw
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
na

 
Overlays
 Periodic Table  → Six (6) BE Tables
Valence Band SpectraOverlay of Bio and Bi2O3
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV
Bi (4f) SpectraOverlay of Bio and Bi2O3
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 eV


 Periodic Table  → Six (6) BE Tables
Bi (4f) Spectra – Overlay of Bio and Osxx
Freshly exposed bulk, Flood gun is OFF, C (1s) BE = 284.73 eV, Ag FWHM = 0.75 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 (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 Bi (4f7/2) 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

Bi (4f7/2) 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
Bi 83 Bi – element 157.0 eV 285.0 eV The XPS Library
Bi 83 Bi2Se3 (N*2) 157.9 eV 158.2 eV 284.8 eV Avg BE – NIST
Bi 83 Bi-2S3 (N*3) 158.2 eV 159.5 eV 284.8 eV Avg BE – NIST
Bi 83 BiSrCaCuOx (N*3) 158.3 eV 158.4 eV 284.8 eV Avg BE – NIST
Bi 83 BiSrCaCuOx 158.5 eV 285.0 eV The XPS Library
Bi 83 BiSrCuOx 158.5 eV 285.0 eV The XPS Library
Bi 83 Bi2O3 (N*5) 158.6 eV 159.8  eV 284.8 eV Avg BE – NIST
Bi 83 Bi-2O3 158.9 eV 285.0 eV The XPS Library
Bi 83 (BiO)2CO3 159.1 eV 285.0 eV The XPS Library
Bi 83 Bi-I3 (N*1) 159.3 eV 284.8 eV Avg BE – NIST
Bi 83 Bi-F3 159.7 eV 285.0 eV The XPS Library
Bi 83 Bi-F3 (N*1) 160.8 eV 284.8 eV Avg BE – NIST
Bi 83 Bi-(OH)3 285.0 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 (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

Bi (4f7/2) Chemical State BEs from:  “PHI Handbook”

C (1s) BE = 284.8 eV

 Periodic Table 

Copyright ©:  Ulvac-PHI


Table #3

Bi (4f7/2) Chemical State BEs from:  “Thermo-Scientific” Website

C (1s) BE = 284.8 eV

Chemical state Binding energy (eV), Bi (4f7/2)
Bi metal 157
Bi2O3 159

 Periodic Table 

Copyright ©:  Thermo Scientific 


Table #4

Bi (4f7/2) 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

Bi (4f7/2) 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
Bi 4f7/2 Bi 156.9 ±0.1 156.8 157.0
Bi 4f7/2 Bi2MoO6 158.3 ±0.3 158.0 158.5
Bi 4f7/2 Bi2S3 159.0 ±0.3 158.7 159.2
Bi 4f7/2 NaBiO3 159.1 ±0.3 158.8 159.3
Bi 4f7/2 BiI3 159.3 ±0.3 159.0 159.5
Bi 4f7/2 Bi2O3 159.5 ±0.3 159.2 159.8
Bi 4f7/2 (BiO)2Cr2O7 159.7 ±0.3 159.4 159.9
Bi 4f7/2 Bi2Ti2O7 159.8 ±0.3 159.5 160.0
Bi 4f7/2 BiOCl 160.0 ±0.3 159.7 160.3
Bi 4f7/2 BiF3 160.8 ±0.3 160.5 161.1
Bi 4f7/2 Bi2(SO4)3・H2O 161.1 ±0.2 160.9 161.3

 

 Periodic Table 



 


Histograms of NIST BEs for Bi (4f
7/2) BEs

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

Histogram indicates:  156.9 eV for Bio based on 9 literature BEs Histogram indicates:  159.5 eV for Bi2O3 based on 6 literature BEs

Table #6


NIST Database of Bi (4f7/2) 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
Bi 4f7/2 Bi 156.60  Click
Bi 4f7/2 Bi 156.85  Click
Bi 4f7/2 Bi 156.88  Click
Bi 4f7/2 Bi 156.90  Click
Bi 4f7/2 Bi 156.90  Click
Bi 4f7/2 Bi 156.90  Click
Bi 4f7/2 Bi 156.93  Click
Bi 4f7/2 Bi 157.00  Click
Bi 4f7/2 Bi 157.00  Click
Bi 4f7/2 O2/Bi 157.00  Click
Bi 4f7/2 O2/Bi 157.00  Click
Bi 4f7/2 Bi 157.10  Click
Bi 4f7/2 Bi/Pt 157.10  Click
Bi 4f7/2 Bi2Te3 157.10  Click
Bi 4f7/2 Bi 157.12  Click
Bi 4f7/2 Bi2Te3 157.20  Click
Bi 4f7/2 Bi1.99Sr2.00Ca2Cu3Ox 157.80  Click
Bi 4f7/2 Bi2.00Sr2.00Ca2Cu3Ox 157.80  Click
Bi 4f7/2 Bi2.01Sr2.00Ca2Cu3Ox 157.80  Click
Bi 4f7/2 Bi2.01Sr2.00Ca2Cu3Ox 157.80  Click
Bi 4f7/2 Bi2.01Sr2Ca2Cu3Ox 157.80  Click
Bi 4f7/2 Bi2Se3 157.90  Click
Bi 4f7/2 Ba0.6K0.4BiO3 157.90  Click
Bi 4f7/2 Bi1.6Pb0.4Sr2Ca2Cu3Ox 157.90  Click
Bi 4f7/2 Bi2.39Ru1.61O7-x 158.00  Click
Bi 4f7/2 Bi2Sr1.4CaCu2Ox 158.10  Click
Bi 4f7/2 As40Bi10Se50 158.10  Click
Bi 4f7/2 As40Bi4Se56 158.10  Click
Bi 4f7/2 Bi2.86Ru1.14O7-x 158.10  Click
Bi 4f7/2 Bi2S3 158.20  Click
Bi 4f7/2 Bi10.3Ge23.9Se65.8 158.20  Click
Bi 4f7/2 Bi15.6Ge20.1Se64.3 158.20  Click
Bi 4f7/2 Bi2Ca1+xSr2-xCu2O8+y 158.20  Click
Bi 4f7/2 Bi2Se3 158.20  Click
Bi 4f7/2 Bi2Sr2CaCu2O8 158.20  Click
Bi 4f7/2 Bi2Sr2CaCu2O8 158.20  Click
Bi 4f7/2 Co/Bi2Sr2CaCu2O8 158.20  Click
Bi 4f7/2 Bi2MoO6 158.30  Click
Bi 4f7/2 Bi1.1Ge28.0Se70.9 158.30  Click
Bi 4f7/2 Bi2Sr2Ca2Cu3Ox/MgO 158.30  Click
Bi 4f7/2 Bi2Sr2CaCu2O8 158.30  Click
Bi 4f7/2 Bi2Sr2Ca2Cu2O8+x 158.30  Click
Bi 4f7/2 Bi2Sr2CaCu2O8+x 158.30  Click
Bi 4f7/2 Bi2CaSr2Cu2Ox 158.40  Click
Bi 4f7/2 Bi2CaSr2Ni0.2Cu1.8Ox 158.40  Click
Bi 4f7/2 Bi6.5Ge25.2Se68.3 158.40  Click
Bi 4f7/2 Pb/Bi2Sr2CaCu2O8 158.40  Click
Bi 4f7/2 Bi4Ge20Se76 158.40  Click
Bi 4f7/2 Bi2Sr2Ca0.8Y0.2Cu2O8+x 158.40  Click
Bi 4f7/2 Bi2Sr2CaCu2O8+x 158.50  Click
Bi 4f7/2 Bi2Sr2CuO6 158.50  Click
Bi 4f7/2 Bi2Sr2CaCu2O8 158.50  Click
Bi 4f7/2 Bi2Sr2CaCu2O8+x 158.50  Click
Bi 4f7/2 Bi1.99Sr2.00Ca2Cu3Ox 158.50  Click
Bi 4f7/2 Bi2.00Sr2.00Ca2Cu3Ox 158.50  Click
Bi 4f7/2 Bi2.01Sr2.00Ca2Cu3Ox 158.50  Click
Bi 4f7/2 Bi2.01Sr2.00Ca2Cu3Ox 158.50  Click
Bi 4f7/2 Bi2.01Sr2Ca2Cu3Ox 158.50  Click
Bi 4f7/2 Bi1.6Pb0.4Sr2CaCu2O8+x 158.50  Click
Bi 4f7/2 (BiS)1.09NbS2 158.50  Click
Bi 4f7/2 Bi2.2CaCu2Sr2Pb0.2Ox 158.50  Click
Bi 4f7/2 Bi2.3CaCu2Sr2Pb0.1Ox 158.50  Click
Bi 4f7/2 Bi2O3 158.60  Click
Bi 4f7/2 BiPbRu2O6.5 158.60  Click
Bi 4f7/2 Bi2Ru2O7 158.60  Click
Bi 4f7/2 Bi1.7Pb0.4Sr2Ca2Cu3O10+x 158.60  Click
Bi 4f7/2 Bi1.55Pb0.6Sr2Ca2Cu3.5O10+x 158.60  Click
Bi 4f7/2 BiPbSr2CaCu2O8+x 158.60  Click
Bi 4f7/2 Bi2Sr2CaCu2Ox 158.60  Click
Bi 4f7/2 Bi2O3 158.70  Click
Bi 4f7/2 Bi2O3 158.70  Click
Bi 4f7/2 Bi2O3 158.70  Click
Bi 4f7/2 Bi2S3 158.70  Click
Bi 4f7/2 (Bi2O3)0.200(LiBO2)0.800 158.70  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.59(Bi2O3)0.01 158.70  Click
Bi 4f7/2 Bi2O3 158.80  Click
Bi 4f7/2 Bi/Bi2Sr2CaCu2O8 158.80  Click
Bi 4f7/2 NaBa3BiO6 158.80  Click
Bi 4f7/2 O2/Bi 158.80  Click
Bi 4f7/2 O2/Bi 158.80  Click
Bi 4f7/2 (Bi2O3)0.150(LiBO2)0.850 158.80  Click
Bi 4f7/2 Bi2S3 158.90  Click
Bi 4f7/2 (Bi2O3)0.100(LiBO2)0.900 158.90  Click
Bi 4f7/2 (Bi2O3)0.050(LiBO2)0.950 158.90  Click
Bi 4f7/2 (Bi2O3)0.025(LiBO2)0.975 158.90  Click
Bi 4f7/2 BiO4V 159.00  Click
Bi 4f7/2 Bi10Ge20Se70 159.00  Click
Bi 4f7/2 Bi2Sr2Ca0.8Y0.2Cu2O8+x 159.00  Click
Bi 4f7/2 Li6KBiO6 159.00  Click
Bi 4f7/2 (Bi2O3)0.004(LiBO2)0.996 159.00  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.54(Bi2O3)0.06 159.00  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.40(Bi2O3)0.10 159.00  Click
Bi 4f7/2 NaBiO3 159.10  Click
Bi 4f7/2 Bi1.65Pb0.35Sr2Ca2Cu3O10 159.10  Click
Bi 4f7/2 (Bi2O3)0.250(LiBO2)0.750 159.10  Click
Bi 4f7/2 (Bi2O3)0.015(LiBO2)0.985 159.10  Click
Bi 4f7/2 (Bi2O3)0.005(LiBO2)0.995 159.10  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.40(Bi2O3)0.20 159.10  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.594(Bi2O3)0.006 159.10  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.30(Bi2O3)0.20 159.10  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.42(Bi2O3)0.08 159.10  Click
Bi 4f7/2 BiSbO4 159.20  Click
Bi 4f7/2 Bi2Sr1.4CaCu2Ox 159.20  Click
Bi 4f7/2 (Bi2O3)0.020(LiBO2)0.980 159.20  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.50(Bi2O3)0.10 159.20  Click
Bi 4f7/2 Bi4Ge3O12 159.20  Click
Bi 4f7/2 BiI3 159.30  Click
Bi 4f7/2 Bi2O3 159.30  Click
Bi 4f7/2 Bi2.39Ru1.61O7-x 159.30  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.598(Bi2O3)0.002 159.30  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.596(Bi2O3)0.004 159.30  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.498(Bi2O3)0.002 159.30  Click
Bi 4f7/2 Bi12GeO20 159.30  Click
Bi 4f7/2 Bi2Ge3O9 159.40  Click
Bi 4f7/2 (Bi2O3)0.002(LiBO2)0.998 159.40  Click
Bi 4f7/2 (Bi2O3)0.003(LiBO2)0.997 159.40  Click
Bi 4f7/2 (Li2O)0.4(B2O3)0.592(Bi2O3)0.008 159.40  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.47(Bi2O3)0.03 159.40  Click
Bi 4f7/2 Bi2(MoO4)3 159.50  Click
Bi 4f7/2 Bi2S3 159.50  Click
Bi 4f7/2 Bi2.86Ru1.14O7-x 159.50  Click
Bi 4f7/2 Bi2MoO6 159.50  Click
Bi 4f7/2 (Bi2O3)0.010(LiBO2)0.990 159.50  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.497(Bi2O3)0.003 159.50  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.49(Bi2O3)0.01 159.50  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.48(Bi2O3)0.02 159.50  Click
Bi 4f7/2 Bi2MoO6 159.60  Click
Bi 4f7/2 Bi2Cr2O9 159.60  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.494(Bi2O3)0.006 159.60  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.492(Bi2O3)0.008 159.60  Click
Bi 4f7/2 Bi2(MoO4)3 159.70  Click
Bi 4f7/2 Ti2Bi2O7 159.70  Click
Bi 4f7/2 Bi2O3 159.80  Click
Bi 4f7/2 Bi2Mo2O9 159.80  Click
Bi 4f7/2 (Li2O)0.5(B2O3)0.496(Bi2O3)0.004 159.80  Click
Bi 4f7/2 BiOCl 159.90  Click
Bi 4f7/2 BiF3 160.80  Click
Bi 4f7/2 Bi2(SO4)3.H2O 161.20  Click
Bi 4f7/2 Bi2O3 161.50  Click

 

 

Statistical Analysis of Binding Energies in NIST XPS Database of BEs