AlN	BN	CrN	CuN	Fe4N	GaN	GeN	InN	Li3N	NbN
Si3N4	TaN	TiN	VN	WN	ZrN	CuCN	SiCN	TiCN	K3Fe(CN)6
InGaN	PAN	n-Octylamine	Kapton	NH4BF4	NH4Br	NH4Cl	Cu(NO3)2	Tl(NO3)	Basic

XPS Spectra
Nitrogen (N) 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.

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Aluminum Nitride  (AlN <111> film)
Survey, Peak-fits, BEs, FWHMs, and Peak Labels

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→  Periodic Table	→ Six (6) BE Tables
Survey Spectrum from AlN Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag (3d5/2) FWHM = 1.3 eV
→  Periodic Table	→ Six (6) BE Tables
Al (2p) Spectrum from AlN – Raw Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	Al (2p) Spectrum from AlN – Peak-Fit Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
Al (2p-2s) Spectrum from AlN – Extended Range Fresh exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	Al (2p) Spectrum from AlN – Raw – Vertically Expanded Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table	→ Six (6) BE Tables
N (1s) Spectrum from AlN – Raw Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	N (1s) Spectrum from AlN – 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
N (1s) Spectrum from AlN – Raw – Extended Range Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	N (1s) Spectrum from AlN – Raw – Vertically Expanded Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table	→ Six (6) BE Tables
C (1s) Spectrum from AlN – Peak-fit – As measured  Freshly exposed bulk, Flood gun is ON, C (1s) BE = 284.71 eV, Ag FWHM = 0.75 eV	C (1s) Spectrum from AlN – Peak-Fit – Corrected Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV

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→  Periodic Table	→ Six (6) BE Tables
Al (2s) Spectrum from AlN – Raw Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	Al (2s) Spectrum from AlN – 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
N (2s) Spectrum from AlN – Raw Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	Valence Band Signals from AlN – Raw 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 Alo and AlN Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	Al (2p) Spectra – Overlay of Alo and AlN Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV
→  Periodic Table	→ Six (6) BE Tables
Al (2p) Spectra – Overlay of Al2O3 and AlN Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 eV, Ag FWHM = 0.75 eV	Al (2p-2s) Spectra – Overlay of Alo plasmons and AlN E losses Freshly exposed bulk, Flood gun is ON, C (1s) BE = 285.0 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 (Cr), PEs = 50, 100, 150 and 200 eV

→  Periodic Table

March 2016 – Transmission Function of Thermo K-Alpha Plus

Survey Spectra of Ion Etched Copper (Cr), 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 (Cr), PEs = 100, 120, 140, 160, 180 and 200 eV

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Six (6) Chemical State Tables of N (1s) BEs

 

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

 

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---

 

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 (2p_3/2) 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 (2p_3/2) 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

N (1s) 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
N	7	N-Ge	396.5 eV		285.0 eV	The XPS Library
N	7	N-In	396.7 eV		285.0 eV	The XPS Library
N	7	N-Zr	396.9 eV		285.0 eV	The XPS Library
N	7	N-Cr	397.1 eV		285.0 eV	The XPS Library
N	7	N-Si	397.1 eV	397.8 eV	285.0 eV	The XPS Library
N	7	N-Nb	397.2 eV		285.0 eV	The XPS Library
N	7	N-Ti	397.2 eV	397.5 eV	285.0 eV	The XPS Library
N	7	N-V	397.2 eV		285.0 eV	The XPS Library
N	7	Si3N4 (N*9)	397.4 eV	398.6 eV		Avg BE – NIST
N	7	N-Ga	397.5 eV		285.0 eV	The XPS Library
N	7	N-Al	397.6 eV	398.0 eV	285.0 eV	The XPS Library
N	7	N-Fe	397.7 eV		285.0 eV	The XPS Library
N	7	N-W	397.7 eV	398.1 eV	285.0 eV	The XPS Library
N	7	SiCN	398.0 eV		285.0 eV	The XPS Library
N	7	KCN (N*3)	398.1 eV	399.6 eV		Avg BE – NIST
N	7	N-B	398.1 eV	398.3 eV	285.0 eV	The XPS Library
N	7	N-B (N*6)	398.1 eV	398.4 eV		Avg BE – NIST
N	7	N-Ta	398.2 eV	398.3 eV	285.0 eV	The XPS Library
N	7	NaN-N2 (N*4)	398.5 eV	400.1 eV		Avg BE – NIST
N	7	CuCN	398.7 eV		285.0 eV	The XPS Library
N	7	N-C  amines     (R2NH2)	399.1 eV	400.2 eV	285.0 eV	The XPS Library
N	7	N nitrile  (CN) PAN polymer	399.6 eV		285.0 eV	The XPS Library
N	7	N-C=O	399.7 eV	400.0 eV	285.0 eV	The XPS Library
N	7	NH4-Cl (N*3)	400.8 eV	401.7 eV		Avg BE – NIST
N	7	N-O	401.2 eV	402.4 eV	285.0 eV	The XPS Library
N	7	(NH4)2-SO4 (N*1)	401.3 eV			One BE – NIST
N	7	NH4+,NR4+	401.4 eV	402.4 eV	285.0 eV	The XPS Library
N	7	Me4NCl (N*4)	401.5 eV	402.3 eV		Avg BE – NIST
N	7	NH4-NO3 (N*4)	401.9 eV	402.3 eV		Avg BE – NIST
N	7	NaN2-N (N*4)	402.8 eV	404.5 eV		Avg BE – NIST
N	7	M-NO2 (N*7)	403.3 eV	404.9 eV		Avg BE – NIST
N	7	N-O2  (nitrocellulose)	405.4 eV		285.0 eV	The XPS Library
N	7	NO3-NH4 (N*4)	405.5 eV	407.3 eV		Avg BE – NIST
N	7	M-NO3 (N*14)	407.2 eV	408.1 eV		Avg BE – NIST
N	7	N-O3	408.2 eV		285.0 eV	The XPS Library

 

 

 

 

 

 

 

Charge Referencing

• (N*number) identifies the number of NIST BEs that were averaged to produce the BE in the middle column.
• Binding Energy Scale calibration expects Cu (2p_3/2) BE = 932.62 eV and Au (4f_7/2) 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 

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Table #2

N (1s) Chemical State BEs from:  “PHI Handbook”

C (1s) BE = 284.8 eV

 

→  Periodic Table 

Copyright ©:  Ulvac-PHI

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Table #3

N (1s) Chemical State BEs from:  “Thermo-Scientific” Website

C (1s) BE = 284.8 eV

Chemical state	Binding energy N (1s) / eV
Metal nitrides	~397
NSi3 (Si3N4)	398.0
NSi2O	399.9
NSiO2	402.5
C-NH2	~400
Nitrate	>405

→  Periodic Table 

Copyright ©:  Thermo Scientific 

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Table #4

N (1s) 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

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Table #5

N (1s) 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 N 1s Nitride 397.3 ±1.1 396.2 ～ 398.3 N 1s Si3N4 397.5 ±0.4 397.1 ～ 397.8 N 1s BN 398.1 ±0.2 397.9 ～ 398.3 N 1s Azide (N*NN*) 398.4 ±0.5 397.9 ～ 398.8 N 1s Cyanides 398.9 ±1.5 397.4 ～ 400.3 N 1s NH3 399.2 ±0.5 398.7 ～ 399.7 N 1s Organic Matrix 399.9 ±1.1 398.8 ～ 401.0 N 1s Ammonium Salt 401.8 ±1.4 400.4 ～ 403.2 N 1s Azide (NN*N) 402.8 ±0.5 402.3 ～ 403.2 N 1s Nitrites 404.0 ±0.9 403.1 ～ 404.8 N 1s Nitrates 407.6 ±0.6 407.0 ～ 408.2

→  Periodic Table 

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Histograms of NIST BEs for N (1s) BEs

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

 

Histogram indicates:  397.1 eV for pure TiN based on 9 literature BEs	Histogram indicates:  397.8 eV for Si3N4 based on 30 literature BEs
Histogram indicates:  398.3 eV for pure BN based on 7 literature BEs	Histogram indicates:  401.4 eV for pure NH4Cl based on 4 literature BEs
Histogram indicates:  404.2 eV for pure -NO2 based on 5 literature BEs	Histogram indicates:  406.6 eV for pure -NO3 based on 6 literature BEs

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Table #6

NIST Database of N (1s) 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.

 

 

→  Periodic Table 

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Statistical Analysis of Binding Energies in NIST XPS Database of BEs

 

 

 

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Six (6) Chemical State Tables of Al (2p) 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 (2p_3/2) 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
• There are uncertainties and error ranges in nearly all BEs 
  • Flood guns
• 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 (2p_3/2) 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

Al (2p) 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
Al	13	Al – element	72.9 eV		285.0	The XPS Library
Al	13	AlGaAs	74.1 eV		285.0	The XPS Library
Al	13	Al2O3 (N*3)	74.3 eV	74.7 eV	284.8	Avg BE – NIST
Al	13	Al-N	74.3 eV		285.0	The XPS Library
Al	13	Pyrope	74.4 eV		285.0	The XPS Library
Al	13	Mica	74.5 eV		285.0	The XPS Library
Al	13	Al2SiO5	74.7 eV		285.0	The XPS Library
Al	13	Al2(SO4)3 (N*1)	74.9 eV		284.8	Avg BE – NIST
Al	13	LiAlSi2O6	75.3 eV		285.0	The XPS Library
Al	13	Al2O3/Al	75.4 eV	75.9 eV	285.0	The XPS Library
Al	13	Al2O3-TiC	75.4 eV		285.0	The XPS Library
Al	13	Al2O3/Al (N*16)	75.6 eV	75.8 eV	284.8	Avg BE – NIST
Al	13	Al-OOH	75.7 eV		285.0	The XPS Library
Al	13	Al(OH)3	76.2 eV		285.0	The XPS Library
Al	13	Al-F3	77.0 eV		285.0	The XPS Library
Al	13	Al-Br3			285.0	The XPS Library
Al	13	Al-SO4	76.1 eV		285.0	The XPS Library

Charge Referencing

• (N*number) identifies the number of NIST BEs that were averaged to produce the BE in the middle column.
• Binding Energy Scale Calibration expects Cu (2p_3/2) BE = 932.62 eV and Au (4f_7/2) BE = 83.98 eV.  BE (eV) Uncertainty Range:  +/- 0.2 eV
• Charge Referencing of insulators is defined such that the Adventitious Hydrocarbon C (SO) 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 

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Table #2

Al (2p) Chemical State BEs from:  “PHI Handbook”

C (1s) BE = 284.8 eV

Copyright ©:  Ulvac-PHI

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Table #3

Al (2p) Chemical State BEs from:  “Thermo-Scientific” Website

C (1s) BE = 284.8 eV

Chemical State	Binding Energy – Al (2p)
Al metal	72.6 eV
Aluminosilicate	74.4 eV
Al oxide	74.6 eV
Al oxide on Al foil	75.6 eV

Copyright ©:  Thermo Scientific website

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Table #4

Al (2p) 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

Copyright ©:  Mark Beisinger

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Table #5

Al (2p) Chemical State BEs from:  “Techdb.podzone.net” Website

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

Element	Level	Compound	B.E. (eV)		min		max
Al	2p	Al	72.8	±0.3	72.5	～	73.0
Al	2p	AlAs	73.6	±0.3	73.3	～	73.9
Al	2p	AlGaAs	73.7	±0.4	73.3	～	74.0
Al	2p	Al2O3, alpha	73.9	±0.3	73.6	～	74.2
Al	2p	Al2O3, gamma	74.0	±0.3	73.7	～	74.3
Al	2p	Al2O3, sapphire	74.2	±0.3	73.9	～	74.5
Al	2p	AlOOH, boehmite	74.3	±0.3	74.0	～	74.6
Al	2p	Oxides	74.5	±0.3	74.2	～	74.8
Al	2p	Halides	75.4	±0.9	74.5	～	76.3
Al	2p	LiAlH4	75.6	±0.4	75.2	～	76.0
Al	2p	AlF3	76.4	±0.4	76.0	～	76.7