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XPS Software
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Spectra Examples
Accuracy Limits – LiF as example
Anatomy / Features of Chemical State Spectra
Anatomy / Features of Survey Spectra
Chemical State Peak-fits – Examples
Chemical State Spectra – Overlays
Flood Gun Effect on Native Oxides
FWHM for Peak-fitting Chemical Compounds
Gas Phase XPS
Ion Etched Elements – Capture UHV Gases
Literature Spectra (Reference Spectra)
Multiplet Splitting – Cr, Mn, Fe, Co, Ni, Cu
Native Oxides – Examples
Native Oxide Spectra – BEs of C (1s) ?
Polymer Spectra
Pure Element Spectra – Principal Signals
Pure Element Spectra – Survey Scans
Pure Element Spectra – Survey Scans + Labels
Rare Earth Metals – Principle Signals
Sources of Spectra and Data-File Formats
Survey Spectra – Examples
Thermo K-Alpha XPS
Valence Band Spectra – Elements
Valence Band – Examples
Auger Spectra – Examples
Background
Atom% & Shake-up
Background Endpoints
Background – Active Fitting
Background Subtraction-Removal
Background Width
Comparison of Background Types
Endpoint Averaging
Extrinsic Background
High BE Endpoint
Insulator Band Gap
Intrinsic Signal
Linear Background
Sherwood & Proctor Background
Shirley Background
Tougaard Background
Vegh Castle Salvi Background
BE Calibration
*** BE CALIBRATION – RULES
BE Calibration Values
BE Calibration – History
BE Reliability Problem
Calibration Checks – Validation
Calibration Metals
Deposited Gold
Fermi Edge
International BE Calibration – IXIR
Ion Etching – Ag, Au, Cu
ISO BE Standards
Publishing XPS Data
SCE Values
X-ray Energies
BE Tables
BE Table – Atomic # Order
Chemical State Identification – AgCl -ZrO2
Crist Table of BEs & FWHMs
Histogram Plots of NIST BEs
Periodic Table of Principal BEs
Summaries of NIST BEs
Charging
Adventitious Carbon
Charge Compensation
Charge Compensation – M. Biesinger
.Charge Control
Charge-Control Mesh-Screen
Charge Correction
Charge Correction – M. Beisinger
Charge Referencing Problems
Deposited Gold
Differential Charging
Flood Gun Optimization & Alignment
Peak-Shapes (charging)
Chemical States
Adventitious Carbon
Assigning Chemical States
BE Lookup Table
Charge Referencing
Chemical Shifts
Chemical State Definition
Chemical State Identification Tables – Ag to Zr
Chemical State Spectra
Crist Table of BEs & FWHMs
Deposited Gold
Energy Resolution – 2
From Auger Signals
From Survey Spectra
Hydrocarbon Carbon (not calibration)
Multiplet Splitting and BE Shifts
Multiplet Splitting
Overlaid Spectra – Examples
Overlapping Peaks
Pass Energies: 5-300 eV
Spin-Orbit Coupling
Data
Bad Data
Bad Peak-fit Example
Bad Survey Spectra
Cheat-Sheet
Data Collection Settings
Data File Formats
Data Processing Steps
.Data Quality
Extending Spectrum Range Benefits
Publishing XPS Data
Statistics
XPS Detection Limit
Data Quality
**BE CALIBRATION – RULES
**Peak-Fitting – Facts, Rules & Guides
Accuracy
Bad Peak-fits
.BE Scale Calibration
Chemical State Assignments
Energy Resolution (PE)
FWHMs – Peak-widths
GI-GO ?
Peak-fitting Results
Precision
RELIABILITY
Reliable BEs ?
Reliable Peak-fits ?
Repeatability
Reproducibility
Responsible
Signal-to-Noise (S/N)
Features
Asymmetric tail
Auger Signals
Background baseline
Background bulge
Background noise
Background shapes for peak-fitting
Band Gaps from Spectra
Charging artifact
Chemical shift
Chemical state
.Degradation
Energy loss peak
Fermi edge
Gaussian Lorentzian Peak-shapes
Intrinsic and Extrinsic Losses
Multiplet splitting
Noise
Overlapping peaks
Peak-shapes (G, L, V)
Plasmon loss peaks
Plasmon or Shake-up – Which?
Satellite Peaks?
Shake-up peaks
Spin-Orbit coupling
Trace level signals
Voigt Peak-shape
FWHM Info
Core-Hole Lifetimes
Energy Resolution
FWHM for Peak-fitting Chemical Compounds
FWHM for Pure Metals – Mono and Non-Mono
FWHM vs Pass Energy
FWHM = Peak-width = Core-Hole Lifetime
Gaussian-Lorentzian Ratios
Natural FWHM
Pass Energies: 5-300 eV
Peak-Shapes (G, L, V)
Peak-Shape Tails
Peak-Shape Fit Example
s, p, d, f Peak-widths
X-ray Energies
Peak-fit Models
Asymmetry – Al (2p) metal
Background Types
Endpoints & Averaging
Linear Background
Shirley Background
Tougaard Background
Vegh Background
Bad vs Good Peak-fits Explained
Bad Peak-fits Published in Journals– Explained
Bad Peak-fitting Example – Ni (2p3)
Complex Peak-fits Explained
Gaussian Lorentzian Models
Multiplet Splitting – 3s – orbitals
Multiplet Splitting – 2p – Cr, Mn, Fe, Co, Ni, Cu
Multiplet Splitting – Rare Earths
Multiplet Splitting Calculated by P. Bagus
Noisy Data – Coal
Noisy Data – Ni metal
Overlapping Doublets – Sulfur
Peak Base and Top
Peak-Shapes (G, L, V)
Peak-Shapes – Example #1
Peak-fitting a Single O (1s) Peak
Peak Area Ratios – PET C (1s)
Pt overlaps Al – ratios
Pure Single Crystal – CaCO3 (Calcite)
Sb overlaps O – ratios
Shake-up – Metals
Shake-up – Organics
Smoothing – Bad vs OK
Super Coster-Kronig Effect
Synthetic Peaks
Too Many Peaks – O (1s) – native SiOx
Vibrational Bands – PE & PP
Which Peak-fit is Bad or Good ??
Peak-fitting
**Peak-fitting – Facts, Rules & Guides
**Peak-fitting a Single O (1s) Peak – Easy!
**Peak-fitting MOVIES
**Plot Examples
Abbe Criterion
Advanced Peak-fitting Examples
Background Endpoints
Background Shapes for Peak-fitting
Bad Peak-fits Explained
BEs & FWHMs – Tables
Bubble Chart for Peak-fitting
Chemical State Spectra Peak-fits – Examples
Chi-Squared
Constrained Peak-fit
Curve-fitting = Peak-fitting
Energy Resolution – 2
FWHM Peak-width vs Pass Energy
Gaussian-Lorentzian Ratios
Multiplet Splitting
Overlapping Peaks
Pass Energies: 5-300 eV
Peak Area vs Background Endpoints
Peak-fit Quality
Peak-fitting Flow-Chart
Peak-fitting Guides
Peak-fitting Process – Examples
Peak-fitting Variables
Peak-Shapes (G, L, V)
Shirley Background
Simple Peak-fit Examples
Tougaard Background
Quantification %s
*Accuracy Limits – LiF as example
*Quantification – Atom%s
Atom% gives Empirical Formula
.Background
Calculated IMFPs, Scattering & Photoemission
EAL – Effective Attenuation Length
IMFP – Metal vs Metal Oxide
Integration Endpoints
Linear Background
Shirley Background
Tougaard Background
XPS Detection Limits
Sample
Beam Alignment
Chemical Suppliers
Contamination
In-Situ Treatments
Ion Beam Etching
Ion Etching Variables
Ion Etch Rate Films
Photos of Samples
Reference Materials
Sample “specimen” Handling
Sample History
Sample Preparation Bench
Sample Preparation Methods
Sample Preparation Equipment
Sample Size, Shape & Form
Sample Storage
Suppliers – Single Xtals, Nano, 2D, Perovskites, Graphene
2D Materials Suppliers
Graphene Materials
NanoParticle Suppliers
Perovskite Suppliers
Single Crystal Suppliers
X-ray Beam Size
Software
Avantage
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ESCApe
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Quases
Sessa
TPP-2M IMFP Calculator
Unifit
Free Software
CasaXPS
XPS Labs
*XPS Labs around the World
Contract Labs having XPS
Industrial Labs having XPS
National Labs having XPS
University Labs having XPS
XPS Basics
Advantages of XPS
Basic Principles – PHI Handbook
Common Difficulties
Data Collection Settings
Data Processing Steps
Limits & Weaknesses
Physics of XPS
Wikipedia – XPS
XPS Detection Limits
Advanced XPS
.Charge Referencing
AR-XPS
Auger Parameter
Bagus Papers
Advanced Interpretation of XPS
Band Gaps
Capture of UHV Gases
Circular Dichroism in XPS
Depth Profiling
Electron Configuration – Orbitals
Electronic State Info
Environmental XPS
Experimental Details
Excited States
Final & Initial States
HAXPES
IMFP & AL
Imaging – Mapping
Initial & Final States
Ion Etch Rate Films
Ion Etch Rate Tables
Koster-Kronig Effect – Ti (2p1) in TiO2
Laser-XPS
One Electron Approximation
Photoelectron BE Diagrams
Photoemission Process
Quantification – Atom%s
Quantum Mechanics of XPS
Scattering Effects
Spin-Orbit Coupling
Tesla Coil Irradiation Effects
Thickness Estimates
TPP-2M and IMFPs
Transmission Function
Work Functions of Elements
XPS Theory
X-ray Data Booklet – LBL – PDF
Application Notes
Common Applications
EAG Application Notes
Kratos Application Notes
Surface Science Western
Thermo Application Notes
Ulvac-PHI Application Notes
XPS International Application Notes
Degradation
Degradation of Polymers
Degradation due to Flood Gun Electrons
Degradation due to Ar+ Ion Etching
Degradation due to X-ray Flux
Experts
Consultants
Legal Witness
HOME PAGE
Information Depth
XPS vs Auger Information Depth
XPS vs SEM-EDS Information Depth
XPS vs ToF-SIMS Information Depth
Instrument
Inside View – Analysis Chamber
Instrument Buying Guide
Instrument Components & Accessories
Instrument Design
Instrument Geometries
.Instrument Makers
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Operating Conditions
Performance vs Specification
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Synchrotrons for XPS
Transmission Function
Troubleshooting
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X-ray Sources
Journals
Experimental Details to Publish
Journal Editors
XPS Books
XPS Journals
Makers
Instrument Makers
NIST
*Publishing XPS Data
*XPS BEs – On-line Database – NIST
Histogram Plots of NIST BEs
Review of NIST XPS BEs
SRD 64 Electron Elastic Scattering
SRD 71 Electron IMFP Database
SRD 82 Electron EAL Database
Summaries of BE Tables – NIST
Wagner Book of XPS BEs (NIST)
XPS Information from NIST
Posters
Drawings & Schematics
Flowcharts & Guides
Graphs & Charts
Instrument Details & Adjustments
Physics & Theory
Sample Degradation
Tables & Guides
σ, SF, ASF, & RSF
*Quantification – Atom%s
*Table of Scofield σ, (RSFs)
Beisinger SFs – Wagner e-ASFs variation
Crist Inflection-Point SFs – Scofield variation
Kratos SFs – 1990 – Scofield
Plots Comparing SFs
Plots of Ulvac PHI e-ASFs
Scofield SFs – Al X-rays – Theoretical
Scofield SFs – Al X-rays – Crist Modified
Scofield SFs – Al X-rays – Thermo Modified
Thermo SFs – Scofield RSFs
Test of Scofield SFs
Ulvac-PHI e-ASFs – March 2002 – Wagner
Ulvac-PHI e-ASFs – Wagner variation
Wagner’s Original e-ASFs
Wagner e-ASFs – Al X-rays – MultiPak
Wagner e-ASFs – Al X-rays – PHI – Omni-5
Wagner e-ASFs – F (1s)=1.0 vs C (1s)=1.0
Spectra-Bases #1-4
XPS #1 (.SDP format) >40,000 spectra
XPS #2 (.VMS, .ISO, .TXT) >15,000 spectra
XPS #3 (.VGD) >32,000 spectra
AES #4 (.SDP, .NPL, .VMS) >6,000 spectra
Spectra-Collections
Binary Oxides, 46 MB (*.sdp)
Carbon KLL Auger, 2 MB (*.sdp)
Chemical State Groups, 1 GB (*.vgd)
Flood Gun ON – Native Oxides, 1 MB (plots)
Handbook Series, 34 MB (*.iso, *.vms)
HER Auger Spectra, 12 MB (*.sdp)
Industrial Goods, 67 MB (*.vgd)
Miscellaneous, 60 MB (*.txt)
Native Oxides, 16 MB, FG OFF (*.vgd)
Native Oxides FG ON-OFF, 5 MB (*.sdp)
NECSA-Bio Polymers, 2 MB (*.mrs)
Original S-Probe, 90 MB (*.mrs)
PHI Handbook Spectra, 6 MB (*.spe)
Polymers, 46 MB (*.sdp)
Rare Earth Materials, 36 MB (*.vgd)
S-Probe, 200 MB (*.mrs, ASCII)
Single Crystals, 240 MB (*.vgd)
TXL IP-eSF, 340 MB (*.vgd)
UHV Gas Capture, 1 MB (3D plots)
Valence Band, 3 MB (*.txt, *.sdp)
VG Eclipse Database, 9 MB (*.dts)
X-ray Degradation of Polymers, 1 MB (*.sdp)
XPS Simplified, 14 MB (*.vgd)
Spectra PDF-books
Crist – Vol 1 – The Elements & Native Oxides
Crist – Vol 2 – Commercially Pure Metal Oxides
Crist – Vol 3 – Semiconductors
Crist – Vol 4 – Polymers
Crist – Vol 5 – RE Oxides, Carbonates, Hydroxides, Sulfides, Nitrides…
JEOL – Handbook of Spectra – Elements
Kratos – Polymers – PDF
PHI – Handbook of Spectra – Elements
Photos of XPS Handbooks
Wiley – Vol 1-3 -of Monochromatic XPS Spectra
Sponsors
Future for XPS Instrument Sales
Logo’s of Advertisers
B. Vincent Crist – Founder
Standards
AFNOR Standards
ASTM Standards
BAM Standards
BSI Standards
CSA Standards
DIN Standards
GOST-R & RuStandards
ISO Standards
JIS Standards
KSA Standards
Publishing XPS Data
SiS Standards
Surface Chemistry
Adventitious Carbon
Anti-Static, Anti-Caking
Capture of UHV Gases
Carbonates from CO2
Catalyst Surface
Clean Surface
Chemical Treatments
Contamination
Corrosion
Creeping Lubricants
Deposition Methods
Gas Treatments
Heat Treatments
Ion Etching
Hydroxides from Oxides
Lifetime of Clean Surfaces
Lubricants
Natural Oxidation
Oxidation Treatments
PDMS – Silicone Oil
Plasma Treatments
Sticking Coefficients of Gases
Sulfides from H2S (air)
Surface Chemical Reaction
Surface Contaminants
Surface Photo-Chemistry
Surface Reactivity
Tesla Coil Irradiation
Training
AVS Training Courses
Instrument Training
Instrument Training by Maker
Professional Teachers
Kateryna Artyushova
C. Richard Brundle
John T. Grant
Sven Tougaard
PPT / PDF Presentations
Software Operation
XPS Basics
XPS Training Videos
Vocabulary
ISO 18115-1:2013 XPS Terms
Terms & Phrases for XPS
XPS
The History of XPS
Collections of XPS Spectra
Future for XPS Instrument Sales
IXIR
IXIR Database ON-LINE
flat-database-test
TXL Members
Contributing Editors
Bagus, Paul S. (USA)
Biesinger, Mark C. (Canada)
Brundle, C. Richard (USA)
Fairley, Neal (England)
Fernandez, Vincent (France)
Herrera Gomez, Alberto (Mexico)
Linford, Matthew (USA)
Moulder, John (USA)
Smentkowski, Vincent S. (USA)
TXL Videos
Useful Links
Alloy & Stainless Steel Kit Supplier
Catalyst Suppliers
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Chemical Suppliers
Cleanliness of Surfaces
Database Websites – XPS
HyperPhysics
International Conferences – XPS
Materials Analysis Methods – List
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List of All Pages in The XPS Library
*** International BE Calibration – Status Reports
*** TEMPLATE – 3 column tables
***BE CALIBRATION – RULES
***BE CALIBRATION – RULES
**PEAK-FITTING – FACTS, RULES & GUIDELINES
**PEAK-FITTING – FACTS, RULES & GUIDELINES
**Plot Examples
*Accuracy Limits – LiF as example
*COPYRIGHTS RESERVED
*Suggestions
*Table of RSFs – Normalized Scofield SFs
..NIST-BEs..
.Application Notes
.Background
.BE Scale Calibration
.BE Tables
.Binding Energy (BE) Scale Calibration
.Charge Control
.Charge Referencing
.Charging
.Chemical States
.Chemical States
.Data
.Data Quality
.Data Quality
.Degradation
.Degradation
.Depth of Information
.Experts
.Features
.FWHM Information
.Instrument Makers
.Instrument Service
.Instruments
.σ, SF, ASF, RSF, and e-RSF
.Makers
.Peak-fit Models
.Peak-fitting = Curve-fitting
.Posters & InfoGraphics
.PURCHASE PAGE
.Quantification – Atom%s
.Sample (Specimen)
.Software
.Spectra Handbooks
.Spectra-Bases #2
.Standards
.Surface Chemistry
.Survey Spectra Examples
.True Home
.True Home w Full Menu
.Vocabulary
.Wall Charts & Wall Posters
.XPS
.XPS Basics
.XPS Labs
2D Materials Suppliers
6 Tables of Sensitivity Factors
AAnalyzer
Abbe Criterion
About The XPS Library
Accuracy
Addify add to quote
Ads
Advanced Interpretation of XPS
Advanced Peak-fitting Examples
Advanced XPS
Advantages of XPS
Adventitious Carbon
Adventitious Carbon
Adventitious Carbon
AES (.SDP, .NPL, .VMS) 2281 data-sets
AES (.SDP, .NPL, .VMS) 2281 data-sets
AFNOR Standards
Ag – Basic Spectra
Al – Basic Spectra
Alberto Herrera Gomez
Alloy & Stainless Steel Samples Kit
amCharts v4 test
Anatomy / Features of Chemical State Spectra
Anatomy / Features of Survey Spectra
Angels who Donated
Anti-Static, Anti-Caking
Application Notes ©
Application Notes from Makers
Applications
Ar – Basic Spectra
AR-XPS
As – Basic Spectra
Assigning Chemical States
ASTM Standards
Asymmetric tail
Asymmetry
Atom% & Shake-up
Atom% gives Empirical Formula
Au – Basic Spectra
Auger (AES) Information Depth
Auger Parameter
Auger Signals
Auger Spectra from XPS – Examples
Avantage
AVS Training Courses
© 2019, Copyrights
B – Basic Spectra
B. Vincent Crist
B. Vincent Crist – Founder
Background – Active Fitting
Background baseline
Background bulge
Background Endpoints
Background Endpoints
Background Noise
Background Shapes for Peak-fitting
Background Shapes for Peak-fitting
Background Subtraction-Removal
Background Type – Shirley or Linear
Background Width
Bad Data
Bad Peak-fits
Bad Peak-fits Explained
Bad Peak-fits Explained
Bad Peak-fits Published in Journals – Explained
Bad Peak-fitting Example
Bad Peak-fitting Example – Ni (2p3)
Bad Peak-fitting or Good Peak-fitting
Bad Survey Spectra
Bagus Papers
BAM Standards
Band Gaps
Band Gaps from Spectra
Baselines for Peak-fitting (S, L, T)
Be – Basic Spectra
BE Calibration – History
BE Calibration Values
BE Lookup Table
BE RELIABILITY – VITAL
BE Reliability Problem
BE Table – Atomic # Order
Beam Alignment
Bi – Basic Spectra
bi-Carbonates
Biesinger SFs
Binary Oxides, 46 MB (*.sdp)
Block WooCommerce Plugins
Books
Borates
Borides
Br – Basic Spectra
BSI Standards
Bubble Chart for Peak-fitting
C – Basic Spectra
C. Richard Brundle
C. Richard Brundle
Ca – Basic Spectra
Calculated IMFP Values
Calibration Checks – Validation
Calibration Metals
Capture of UHV Gases
Carbides
Carbon KLL Auger, 2 MB (*.sdp)
Carbonates
Carbonates from CO2
Cart
CasaXPS
Catalyst Surface
Catalysts
Cd – Basic Spectra
Ce – Basic Spectra
Ceramics Suppliers
Charge Compensation
Charge Compensation – Biesinger
Charge Correction
Charge Correction (Referencing)
Charge Referencing (CS)
Charge Referencing Problems
Charge-Control Mesh-Screen
Charging artifact
Cheat-Sheet
Checkout
Chemical Shift
Chemical Shifts
Chemical State Assignments
Chemical State Definition
Chemical State Groups, 1 GB (*.vgd)
Chemical State Identification – BE Lookup Table – Ag to Zr
Chemical State Identification – BE Lookup Table – Ag to Zr
Chemical State Peak-fits – Examples
Chemical State Spectra
Chemical State Spectra – OVERLAYS
Chemical State Spectra Peak-fits – Examples
Chemical Suppliers
Chemical Suppliers
Chemical Treatments
Chemical Treatments
Chi-Squared
Chlorides
Circular Dichroism in XPS
Cl – Basic Spectra
Clean Surface
Cleanliness of Surfaces
Client Portal
Co – Basic Spectra
Collections of XPS Spectra
Common Difficulties
Comparison of Background Types
Complex Peak-fits Explained
Components
ComPro v12 (SASJ)
Constrained Peak-fit
Consultants
Contamination
Contamination
Contract Analysis Labs
Contributing Editors
Contributing Editors
Contributors
Core Hole Lifetimes – FWHM
Corrosion
Cr – Basic Spectra
Creeping Lubricants
Crist – Handbooks of Monochromatic XPS
Crist – PDF Book of Semiconductors
Crist – PDF Book of The Elements & Native Oxides
Crist – Spectra Handbook – Metal Oxides
Crist – Spectra Handbook – The Elements & Native Oxides
Crist Empirical IP eSFs – Scofield Base
Crist Handbook Series – Parameters
Crist Publications for Download
Crist Table of BEs & FWHMs
Crist Table of BEs & FWHMs
Crist Table of BEs & FWHMs
Critical Review of NIST XPS BEs
Cs – Basic Spectra
CSA Standards
Cu – Basic Spectra
Curve-fitting = Peak-fitting
Customer Onboarding Login Registration
Data Collection Settings
Data Collection Settings
Data Collection Software
Data File Formats
Data Processing Steps
Data Processing Steps
Databases of BE numbers
Degradation due to Ar+ Ion Etching
Degradation due to Flood Gun Electrons
Degradation due to X-ray Flux
Degradation of Polymers
demonstration
Deposited Gold
Deposited Gold
Deposited Gold
Deposition Methods
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F – Basic Spectra
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