Surface chemical analysis — Vocabulary — Part 1: General terms and terms used in spectroscopy

Analyse chimique des surfaces — Vocabulaire — Partie 1: Termes généraux et termes utilisés en spectroscopie

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ISO TC 201/SC 1
Date: 2022-12-122023-02-17
ISO/FDIS 18115-1:XXXX2023(E)
ISO TC 201/SC 1
Secretariat: ANSI
Surface chemical analysis — Vocabulary — Part 1: General terms and terms used in
spectroscopy

Analyse chimique des surfaces — Vocabulaire — Partie 1: Termes généraux et termes utilisés en

spectroscopie
---------------------- Page: 1 ----------------------
ISO/FDIS 18115-1:2023(E)
Copyright notice

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ii © ISO 2023 – All rights reserved
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ISO/FDIS 18115-1:2023(E)
Contents

Foreword ........................................................................................................................................... iv_Toc127783246

Introduction ..................................................................................................................................................................... v

1 Scope .................................................................................................................................................................... 1

2 Normative references .................................................................................................................................... 1

3 Terms related to general concepts in surface chemical analysis ................................................... 1

4 Terms related to particle transport in materials .............................................................................. 12

5 Terms related to the description of samples ...................................................................................... 21

6 Terms related to sample preparation ................................................................................................... 24

7 Terms related to instrumentation.......................................................................................................... 25

8 Terms related to experimental conditions ......................................................................................... 29

9 Terms related to sputter depth profiling ............................................................................................. 38

10 Terms related to resolution ...................................................................................................................... 42

11 Terms related to electron spectroscopy methods ............................................................................ 47

12 Terms related to electron spectroscopy analysis ............................................................................. 50

13 Terms related to X-ray fluorescence, reflection and scattering methods ................................ 70

14 Terms related to X-ray fluorescence, reflection and scattering analysis ................................. 73

15 Terms related to glow discharge methods .......................................................................................... 74

16 Terms related to glow discharge analysis ........................................................................................... 75

17 Terms related to ion scattering methods............................................................................................. 83

18 Terms related to ion scattering analysis .............................................................................................. 85

19 Terms related to surface mass spectrometry methods .................................................................. 88

20 Terms related to surface mass spectrometry analysis ................................................................... 93

21 Terms related to atom probe tomography ....................................................................................... 101

22 Terms related to multivariate analysis ............................................................................................. 104

Bibliography .............................................................................................................................................................. 114

© ISO 2023 – All rights reserved iii
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ISO/FDIS 18115-1:2023(E)
Foreword

ISO (the International Organization for Standardization) is a worldwide federation of national

standards bodies (ISO member bodies). The work of preparing International Standards is normally

carried out through ISO technical committees. Each member body interested in a subject for which a

technical committee has been established has the right to be represented on that committee.

International organizations, governmental and non-governmental, in liaison with ISO, also take part in

the work. ISO collaborates closely with the International Electrotechnical Commission (IEC) on all

matters of electrotechnical standardization.

The procedures used to develop this document and those intended for its further maintenance are

described in the ISO/IEC Directives, Part 1. In particular, the different approval criteria needed for the

different types of ISO documents should be noted. This document was drafted in accordance with the

editorial rules of the ISO/IEC Directives, Part 2 (see www.iso.org/directives).

Attention is drawn to the possibility that some of the elements of this document may be the subject of

patent rights. ISO shall not be held responsible for identifying any or all such patent rights. Details of

any patent rights identified during the development of the document will be in the Introduction and/or

on the ISO list of patent declarations received (see www.iso.org/patents).

Any trade name used in this document is information given for the convenience of users and does not

constitute an endorsement.

For an explanation of the voluntary nature of standards, the meaning of ISO specific terms and

expressions related to conformity assessment, as well as information about ISO's adherence to the

World Trade Organization (WTO) principles in the Technical Barriers to Trade (TBT), see

www.iso.org/iso/foreword.html.

This document was prepared by Technical Committee ISO/TC 201, Surface chemical analysis,

Subcommittee SC 1, Terminology.

This third edition cancels and replaces the second edition (ISO 18115-1:2013), which has been

technically revised in this edition.
The main changes are as follows:
— Revisionrevision of definitions related to resolution;
— Introductionintroduction of definitions related to atom probe tomography;
— Introductionintroduction of emerging methods such as HAXPES, NAPXPS, GEXRF;
— Removalremoval of repeated or redundant definitions and references;

— Reorganisationreorganisation of the terminology into subject-specific sections;

— Removalremoval of Annexes according to ISO requirements.
A list of all parts in the ISO 18115 series can be found on the ISO website.

Any feedback or questions on this document should be directed to the user’s national standards body. A

complete listing of these bodies can be found at www.iso.org/members.html.
iv © ISO 2023 – All rights reserved
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ISO/FDIS 18115-1:2023(E)
Introduction

Surface chemical analysis is an important area which involves interactions between people with

different backgrounds and from different fields. Those conducting surface chemical analysis can be

materials scientists, chemists, or physicists and can have a background that is primarily experimental or

primarily theoretical. Those making use of the surface chemical data extend beyond this group into

other disciplines.

With the present techniques of surface chemical analysis, compositional information is obtained for

regions close to a surface (generally within 20 nm) and composition-versus-depth information is

obtained with surface analytical techniques as surface layers are removed. The surface analytical terms

covered in this document extend from the techniques of electron spectroscopy and mass spectrometry

to optical spectrometry and X-ray analysis. The terms covered in ISO 18115-2 relate to scanning-probe

microscopy. The terms covered in ISO 18115-3 relate to optical interface analysis. Concepts for these

techniques derive from disciplines as widely ranging as nuclear physics and radiation science to

physical chemistry and optics.

The wide range of disciplines and the individualities of national usages have led to different meanings

being attributed to particular terms and, again, different terms being used to describe the same concept.

To avoid the consequent misunderstandings and to facilitate the exchange of information, it is essential

to clarify the concepts, to establish the correct terms for use, and to establish their definitions.

The terms are classified under Clauses 3 to 22:
— Clause 3: Terms related to general concepts in surface chemical analysis;
— Clause 4: Terms related to particle transport in materials;
— Clause 5: Terms related to the description of samples;
— Clause 6: Terms related to sample preparation;
— Clause 7: Terms related to instrumentation;
— Clause 8: Terms related to experimental conditions;
— Clause 9: Terms related to sputter depth profiling;
— Clause 10: Terms related to resolution;
— Clause 11: Terms related to electron spectroscopy methods;
— Clause 12: Terms related to electron spectroscopy analysis;

— Clause 13: Terms related to X-ray fluorescence, reflection and scattering methods;

— Clause 14: Terms related to X-ray fluorescence, reflection and scattering analysis;

— Clause 15: Terms related to glow discharge methods;
— Clause 16: Terms related to glow discharge analysis;
— Clause 17: Terms related to ion scattering methods;
— Clause 18: Terms related to ion scattering analysis;
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ISO/FDIS 18115-1:2023(E)
— Clause 19: Terms related to surface mass spectrometry methods;
— Clause 20: Terms related to surface mass spectrometry analysis;
— Clause 21: Terms related to atom probe tomography;
— Clause 22: Terms related to multivariate analysis.
vi © ISO 2023 – All rights reserved
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FINAL DRAFT INTERNATIONAL STANDARD ISO/FDIS 18115-1:2023(E)
Surface chemical analysis — Vocabulary — Part 1: General terms
and terms used in spectroscopy
1 Scope

This part of the ISO 18115 series defines terms for surface chemical analysis. It covers general terms

and those used in spectroscopy, while ISO 18115-2 covers terms used in scanning-probe microscopy

and ISO 18115-3 covers terms used in optical interface analysis.
2 Normative references
There are no normative references in this document.
3 Terms related to general concepts in surface chemical analysis

ISO and IEC maintain terminology databases for use in standardization at the following addresses:

— ISO Online browsing platform: available at https://www.iso.org/obp
— IEC Electropedia: available at https://www.electropedia.org/
3.1
interface

boundary between two phases having different chemical, elemental, or physical properties

3.2
surface
interface (3.1) between a condensed phase and a gas, vapour, or free space
3.3
measurand
quantity intended to be measured
[ [1] ]

[SOURCE: ISO/IEC Guide 99:2007 , , 2.3, modified — The notes to entry have been deleted.]

3.4
analyte
substance or chemical constituent that is subjected to measurement
3.5
chemical species
atom, molecule, ion, or functional group
3.6
unified atomic mass unit
dalton
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ISO/FDIS 18115-1:2023(E)
unit equal to 1/12 of the mass of the nuclide C at rest and in its ground state
−27

Note 1 to entry: 1 u ≈ 1,660 538 86 × 10 kg with a one-standard-deviation uncertainty of ±0,000 000

−27 [ [2] ]

28 × 10 kg . . This is a non-SI unit, accepted for use with the International System, whose value in SI units is

obtained experimentally.

Note 2 to entry: The term dalton, symbol Da, is preferred over unified atomic mass unit as it is both shorter and

works better with prefixes.

Note 3 to entry: The above definition was agreed upon by the International Union of Pure and Applied Physics in

1960 and the International Union of Pure and Applied Chemistry in 1961, resolving a longstanding difference

between chemists and physicists. The unified atomic mass unit replaced the atomic mass unit (chemical scale) and

the atomic mass unit (physical scale), both having the symbol amu. The amu (physical scale) was one-sixteenth of

the mass of an atom of oxygen-16. The amu (chemical scale) was one-sixteenth of the average mass of oxygen

atoms as found in nature. In the 1998 CODATA, 1 u = 1,000 317 9 amu (physical scale) = 1,000 043 amu (chemical

scale).
3.7
reference method

thoroughly investigated method, clearly and exactly describing the necessary conditions and

procedures for the measurement of one or more property values, that has been shown to have accuracy

and precision commensurate with its intended use and that can therefore be used to assess the

accuracy of other methods for the same measurement, particularly in permitting the characterization of

a reference material (5.1)
[3]
[SOURCE: ISO Guide 30:1992+A1:2008 ]
3.8
quantitative analysis
determination of the amount of analyte (3.4) detected in, or on, a sample
Note 1 to entry: The analytes can be elemental or compound in nature.

Note 2 to entry: The amounts can be expressed, for example, as atomic or mass percent, atomic or mass fraction,

mole or mass per unit volume, as appropriate or as desired.

Note 3 to entry: The sample material can be inhomogeneous so that a particular model structure may be assumed

in the interpretation. Details of that model should be stated.
3.9
detection limit

smallest amount of an element or compound that can be measured under specified analysis conditions

Note 1 to entry: The detection limit is often taken to correspond to the amount of material for which the total

signal for that material minus the background signal (3.21) is three times the standard deviation of the signal

above the background signal. This approach is simplistic and, for more accurate and rigorous definitions of

detection limits, the References [4] and [5] should be consulted.

Note 2 to entry: The detection limit can be expressed in many ways, depending on the purpose. Examples of ways

of expressing it are mass or weight fraction, atomic fraction, concentration, number of atoms, and mass or weight.

Note 3 to entry: The detection limit is generally different for different materials.

3.10
matrix effects
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ISO/FDIS 18115-1:2023(E)

change in the intensities or spectral information per atom of the analyte (3.4) arising from change in the

chemical or physical environment

Note 1 to entry: Examples of these environments are varying sample morphologies [e.g. thin films (5.13), clusters,

fibres, nanostructures] of different dimensions, the amorphous or crystalline state, changes of matrix species, and

the proximity of other physical phases or chemical species (3.5).
3.11
matrix factor

factors, arising from the composition of the matrix, for multiplying the quotient of the measured

intensity and the appropriate sensitivity factor in formulae to determine the composition using surface

analytical techniques

Note 1 to entry: See average matrix sensitivity factor and pure-element sensitivity factor.

Note 2 to entry: In methods such as AES (11.1), the matrix factor is determined in part by the composition of the

sub-surface material and in part by the composition of the analysis volume (8.48) in the sample.

3.12
absolute elemental sensitivity factor

coefficient for an element by which the measured intensity for that element is divided to yield the

atomic concentration or atomic fraction of the element present in the sample
Note 1 to entry: See elemental relative sensitivity factor (12.92) (20.61).

Note 2 to entry: The choice of atomic concentration or atomic fraction should be made clear.

Note 3 to entry: The type of sensitivity factor utilized should be appropriate for the formulae used in the

quantification process and for the type of sample analysed, for example homogeneous samples or segregated

layers.

Note 4 to entry: The source of sensitivity factors should be given to ensure that the correct matrix factors (3.11) or

other parameters are used.

Note 5 to entry: Sensitivity factors depend on parameters of the excitation source, the spectrometer, and the

orientation of the sample to these parts of the instrument. Sensitivity factors also depend on the matrix being

analysed, and in SIMS (19.1) this has a dominating influence.
3.13
step size

distance between values in measurand (3.3) space from which individual data points are acquired

3.14
sweep
single, complete acquisition of one set of data
3.15
peak intensity
measure of signal intensity (3.17) for a constituent spectral peak

Note 1 to entry: Intensity is usually measured for quantitative purposes which can be the height of the peak above

a defined background or the peak area (3.16). The units can be counts (3.18), counts⋅electron volts, counts per

second, counts⋅electron volts per second, counts per amu, counts per second per amu, etc. For differential spectra,

the intensity can be the peak-to-peak height or the peak-to-background height. The measure of intensity should be

defined and the units stated in each case.
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ISO/FDIS 18115-1:2023(E)

Note 2 to entry: The meaning is very rarely the literal meaning of the intensity value at the top of the measured

peak either before or after removal of any background.
3.16
peak area
area under a peak in a spectrum after background removal

Note 1 to entry: See inelastic electron scattering background subtraction (12.85) and signal intensity (3.17).

Note 2 to entry: The peak area can be expressed in counts (3.18), counts per second, counts⋅electron volts,

counts⋅electron volts per second, counts per amu, or other units.
3.17
signal intensity

strength of a measured signal at a spectrometer detector or after some defined processing

Note 1 to entry: The signal intensity is subject to significant change between the points of generation and

detection of the signal and, further, between the points of detection and display on the measuring instrument.

Note 2 to entry: The signal intensity can be expressed in counts (3.18) (per channel) or counts per second (per

channel) or counts⋅electron volts per second or other units. In AES (11.1), the differential of the signal intensity

may be obtained by analogue modulation (12.61) of an electrode in the spectrometer or by numerical

differentiation of the spectrum. The type of signal shall be defined.

Note 3 to entry: In an electron or mass spectrum (20.58), the measured spectrum integrated over energy or mass

and solid angle is equal to a current. If the spectrometer has been calibrated, the units of intensity can be

−1 −1 −1 −1

current⋅eV ⋅sr or current⋅amu ⋅sr . If the spectrum has been normalized to unit primary-beam (4.808.10)

−1 −1 −1 −1

current, the appropriate units would be eV ⋅sr or amu ⋅sr . If the spectrum has also been integrated over the

−1 −1
emission solid angle, the appropriate units would be eV or amu .
3.18
counts
total number of pulses recorded by a detector system in a defined time interval

Note 1 to entry: The counts can be representative, one-for-one with the particles being detected [in the absence of

dead time (7.17) losses in the counting measurement] in which case they follow Poissonian statistics [unless other

noise (3.19) sources are present] or they can simply be proportional to the number of particles being detected.

The type of measure shall be clearly stated.

Note 2 to entry: In multidetector systems, the apportion of counts into relevant channels of the spectrum can lead

to changes from the expected Poissonian statistics in each channel since the counts in neighbouring channels can

be partly correlated.
3.19
noise

time-varying disturbances superimposed on the analytical signal with fluctuations, leading to

uncertainty in the signal intensity (3.17)

Note 1 to entry: An accurate measure of noise can be determined from the standard deviation of the fluctuations.

Visual or other estimates, such as peak-to-peak noise in a spectrum, can be useful as semiquantitative measures of

noise.

Note 2 to entry: The fluctuations in the measured intensity can arise from a number of causes, such as statistical

noise (3.20) and electrical interference.
3.20
statistical noise

noise (3.19) in the spectrum due solely to the statistics of randomly detected single events

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ISO/FDIS 18115-1:2023(E)

Note 1 to entry: For single-particle counting systems exhibiting Poisson statistics, the standard deviation of a large

number of measures of an otherwise steady count rate, N, each in the same time interval, is equal to the square

root of N.

Note 2 to entry: In multidetector systems, the data processing required to generate the output spectrum can lead

to statistical correlation between adjacent channels and also an apparent noise in each channel that is less than

Poissonian.
3.21
background signal

signal present at a particular position, energy, mass or wavelength due to processes or sources other

than those of primary interest

Note 1 to entry: See metastable background (20.36), Shirley background (12.86), Sickafus background (12.87), and

Tougaard background (12.88).
3.22
peak-to-background ratio
signal-to-background ratio

ratio of the maximum height of the peak above the background intensity to the magnitude of that

background intensity

Note 1 to entry: Signal-to-background ratio is the more commonly used term in GDS (15.1), where it is

abbreviated to SBR. Peak-to-background ratio is the more commonly used term for types of electron

spectroscopies such as AES (11.1) and XPS (11.6).

Note 2 to entry: The method of estimating the background intensity shall be given. For AES, the background

intensity is often determined at a kinetic energy (3.35) just above the peak of interest.

3.23
signal-to-noise ratio

ratio of the signal intensity (3.17) to a measure of the total noise (3.19) in determining that signal

Note 1 to entry: See statistical noise (3.20).

Note 2 to entry: The noise in AES (11.1) is often measured at a convenient region of the spectral background close

to the peak.
3.24
smoothing
mathematical treatment of data to reduce the apparent noise (3.19)
3.25
interference signal

signal, measured at the mass, energy, or wavelength position of

interest, due to another, undesired, species

Note 1 to entry: In general laboratory use, interference can be used more broadly to indicate electrical noise

(3.19), line pick-up, or other unwanted contributions to the detected signal.
3.26
relative standard deviation of the background

quotient of the standard deviation characterizing the noise (3.19) in the background signal (3.21) by the

intensity of the background signal
3.27
lineshape
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ISO/FDIS 18115-1:2023(E)
measured shape of a particular spectral feature
3.28
peak width
width of a peak at a defined fraction of the peak height
Note 1 to entry: See intrinsic linewidth (12.22).
Note 2 to entry: Any background subtraction method used should be specified.

Note 3 to entry: The most common measure of peak width is the full width of the peak at half maximum (FWHM)

intensity.

Note 4 to entry: For asymmetrical peaks, convenient measures of peak width are the half-widths of each side of

the peak at half maximum intensity.
3.29
peak fitting

procedure whereby a spectrum, generated by peak synthesis (3.30), is adjusted to match a measured

spectrum

Note 1 to entry: A least-squares optimization procedure is generally used in a computer programme for this

purpose.

Note 2 to entry: The selected peak shape and the background shape should be defined. Any constraints imposed

on the adjustment process should also be defined.
3.30
peak synthesis

procedure whereby a synthetic spectrum is generated, using either model or experimental peak shapes,

in which the number of peaks, the peak shapes, the peak widths (3.28), the peak positions, the peak

intensities, and the background shape and intensity are adjusted for peak fitting (3.29)

Note 1 to entry: The selected peak shape and the background shape should be defined.

3.31
lateral profile

chemical or elemental composition, signal intensity (3.17) or processed intensity information from the

available software measured in a specified direction parallel to the surface (3.2)

Note 1 to entry: See line scan (8.56).
3.32
depth profile
vertical profile

chemical or elemental composition, signal intensity (3.17) or processed intensity information from the

available software measured in a direction normal to the surface (3.2)
Note 1 to entry: See compositional depth profile (3.33).
3.33
compositional depth profile
CDP

atomic or molecular composition measured as a function of distance normal to the surface (3.2)

3.34
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ISO/FDIS 18115-1:2023(E)
depth profiling

monitoring of signal intensity (3.17) as a function of a variable that can be related to distance normal to

the surface (3.2)
Note 1 to entry: See compositional depth profile (3.33).

Note 2 to entry: In a sputter depth profile (9.1) the signal intensity is usually measured as a function of the

sputtering (9.3) time.
3.35
kinetic energy
energy of motion

Note 1 to entry: The energy of a charged particle due to motion is not necessarily constant and varies with the

local electric potential. If all local electrodes are at ground potential, the kinetic energy of the particle varies with

the local vacuum level (12.10). This vacuum level can vary over a range of 1 eV in different regions of AES (11.1)

and XPS (11.6) instruments and measured electron energies can similarly vary. This variation is removed if the

kinetic energies are referred to the Fermi level (12.9). In XPS, by convention, the Fermi level is always used but in

AES both vacuum (12.76) and Fermi level referencing (12.75) are practised. Instruments capable of both AES and

XPS are Fermi level referenced. Fermi level referencing is recommended for accurate measurements of energies in

AES. In electron spectrometers (12.58), Fermi level referenced energies are typically 4,5 eV greater than those

referenced to the vacuum level. It is convenient in AES to assume a standard vacuum level (12.11) of 4,500 eV

above the Fermi level so that the energies of Auger electron (12.32) peaks, referenced to the Fermi level, can be

converted in a consistent way to energies referenced to the vacuum level and vice versa.

3.36
ion species
type and charge of an ion
+ − +
EXAMPLES Ar , O , and H2 .
Note 1 to entry: If an isotope is used, it should be specified.
3.37
radical
atoms or molecular entity possessing an unpaired electron
• • •

Note 1 to entry: Entities such as CH3, SnH3, and Cl have formulae in which the dot symbolizing the unpaired

electron is placed so as to indicate the atom of highest spin density, if this is possible. Paramagnetic metal ions are

not normally regarded as radicals.

Note 2 to entry: Depending upon the core atom that possesses the unpaired electron, the radicals can be described

as carbon-, oxygen-, nitrogen-, or metal-centred radicals. If the unpaired electron occupies an orbital having

considerable “s” or more or less pure “p” character, the respective radicals are termed σ- or π-radicals.

Note 3 to entry: The adjective “free” is no longer used.
3.38
radical ion
radical (3.37) carrying an electric charge

Note 1 to entry: A positively charged radical is called a “radical cation” (e.g. the benzene radical cation C H ); a

6 6

negatively charged radical is called a “radical anion” (e.g. the benzene radical anion C H or the benzophenone

6 6

radical anion Ph2C−O ). Commonly, but not necessarily, the odd electron and the charge are associated with the

same atom. Unless the positions of unpaired spin and charge can be associated with specific atoms, superscript

dot and charge designations should be placed in the order •+ or •− as suggested by the name “radical ion” (e.g.

C H ).
3 6
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ISO/FDIS 18115-1:2023(E)
3.39
light ion
ion lighter than lithium
Note 1 to entry: See intermediate-mass ion (3.40) and heavy ion (3.41).
3.40
int
...

FINAL
INTERNATIONAL ISO/FDIS
DRAFT
STANDARD 18115-1
ISO/TC 201/SC 1
Surface chemical analysis —
Secretariat: ANSI
Vocabulary —
Voting begins on:
2023-03-06
Part 1:
Voting terminates on:
General terms and terms used in
2023-05-01
spectroscopy
Analyse chimique des surfaces — Vocabulaire —
Partie 1: Termes généraux et termes utilisés en spectroscopie
RECIPIENTS OF THIS DRAFT ARE INVITED TO
SUBMIT, WITH THEIR COMMENTS, NOTIFICATION
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ISO/FDIS 18115-1:2023(E)
LOGICAL, COMMERCIAL AND USER PURPOSES,
DRAFT INTERNATIONAL STANDARDS MAY ON
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NATIONAL REGULATIONS. © ISO 2023
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ISO/FDIS 18115-1:2023(E)
FINAL
INTERNATIONAL ISO/FDIS
DRAFT
STANDARD 18115-1
ISO/TC 201/SC 1
Surface chemical analysis —
Secretariat: ANSI
Vocabulary —
Voting begins on:
Part 1:
Voting terminates on:
General terms and terms used in
spectroscopy
Analyse chimique des surfaces — Vocabulaire —
Partie 1: Termes généraux et termes utilisés en spectroscopie
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ISO/FDIS 18115-1:2023(E)
Contents Page

Foreword ........................................................................................................................................................................................................................................iv

Introduction .................................................................................................................................................................................................................................v

1 Scope ................................................................................................................................................................................................................................. 1

2 Normative references ..................................................................................................................................................................................... 1

3 Terms related to general concepts in surface chemical analysis ....................................................................1

4 Terms related to particle transport in materials ..........................................................................................................11

5 Terms related to the description of samples ......................................................................................................................20

6 Terms related to sample preparation ........................................................................................................................................23

7 Terms related to instrumentation .................................................................................................................................................24

8 Terms related to experimental conditions ...........................................................................................................................27

9 Terms related to sputter depth profiling ...............................................................................................................................36

10 Terms related to resolution ..................................................................................................................................................................40

11 Terms related to electron spectroscopy methods ........................................................................................................45

12 Terms related to electron spectroscopy analysis .........................................................................................................48

13 Terms related to X-ray fluorescence, reflection and scattering methods ...........................................66

14 Terms related to X-ray fluorescence, reflection and scattering analysis ............................................69

15 Terms related to glow discharge methods ............................................................................................................................70

16 Terms related to glow discharge analysis .............................................................................................................................70

17 Terms related to ion scattering methods ...............................................................................................................................78

18 Terms related to ion scattering analysis ................................................................................................................................80

19 Terms related to surface mass spectrometry methods ..........................................................................................84

20 Terms related to surface mass spectrometry analysis ...........................................................................................87

21 Terms related to atom probe tomography ............................................................................................................................95

22 Terms related to multivariate analysis ....................................................................................................................................98

Bibliography ......................................................................................................................................................................................................................... 107

Index ............................................................................................................................................................................................................................................. 108

iii
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ISO/FDIS 18115-1:2023(E)
Foreword

ISO (the International Organization for Standardization) is a worldwide federation of national standards

bodies (ISO member bodies). The work of preparing International Standards is normally carried out

through ISO technical committees. Each member body interested in a subject for which a technical

committee has been established has the right to be represented on that committee. International

organizations, governmental and non-governmental, in liaison with ISO, also take part in the work.

ISO collaborates closely with the International Electrotechnical Commission (IEC) on all matters of

electrotechnical standardization.

The procedures used to develop this document and those intended for its further maintenance are

described in the ISO/IEC Directives, Part 1. In particular, the different approval criteria needed for the

different types of ISO documents should be noted. This document was drafted in accordance with the

editorial rules of the ISO/IEC Directives, Part 2 (see www.iso.org/directives).

Attention is drawn to the possibility that some of the elements of this document may be the subject of

patent rights. ISO shall not be held responsible for identifying any or all such patent rights. Details of

any patent rights identified during the development of the document will be in the Introduction and/or

on the ISO list of patent declarations received (see www.iso.org/patents).

Any trade name used in this document is information given for the convenience of users and does not

constitute an endorsement.

For an explanation of the voluntary nature of standards, the meaning of ISO specific terms and

expressions related to conformity assessment, as well as information about ISO's adherence to

the World Trade Organization (WTO) principles in the Technical Barriers to Trade (TBT), see

www.iso.org/iso/foreword.html.

This document was prepared by Technical Committee ISO/TC 201, Surface chemical analysis,

Subcommittee SC 1, Terminology.

This third edition cancels and replaces the second edition (ISO 18115-1:2013), which has been

technically revised.
The main changes are as follows:
— revision of definitions related to resolution
— introduction of definitions related to atom probe tomography
— introduction of emerging methods such as HAXPES, NAPXPS, GEXRF
— removal of repeated or redundant definitions and references
— reorganisation of the terminology into subject-specific sections
— removal of Annexes according to ISO requirements

A list of all parts in the ISO 18115 series can be found on the ISO website.Any feedback or questions

on this document should be directed to the user’s national standards body. A complete listing of these

bodies can be found at www.iso.org/members.html.
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ISO/FDIS 18115-1:2023(E)
Introduction

Surface chemical analysis is an important area which involves interactions between people with

different backgrounds and from different fields. Those conducting surface chemical analysis can be

materials scientists, chemists, or physicists and can have a background that is primarily experimental

or primarily theoretical. Those making use of the surface chemical data extend beyond this group into

other disciplines.

With the present techniques of surface chemical analysis, compositional information is obtained for

regions close to a surface (generally within 20 nm) and composition-versus-depth information is

obtained with surface analytical techniques as surface layers are removed. The surface analytical terms

covered in this document extend from the techniques of electron spectroscopy and mass spectrometry

to optical spectrometry and X-ray analysis. The terms covered in ISO 18115-2 relate to scanning-

probe microscopy. The terms covered in ISO 18115-3 relate to optical interface analysis. Concepts for

these techniques derive from disciplines as widely ranging as nuclear physics and radiation science to

physical chemistry and optics.

The wide range of disciplines and the individualities of national usages have led to different meanings

being attributed to particular terms and, again, different terms being used to describe the same concept.

To avoid the consequent misunderstandings and to facilitate the exchange of information, it is essential

to clarify the concepts, to establish the correct terms for use, and to establish their definitions.

The terms are classified under Clauses 3 to 22:
— Clause 3: Terms related to general concepts in surface chemical analysis;
— Clause 4: Terms related to particle transport in materials;
— Clause 5: Terms related to the description of samples;
— Clause 6: Terms related to sample preparation;
— Clause 7: Terms related to instrumentation;
— Clause 8: Terms related to experimental conditions;
— Clause 9: Terms related to sputter depth profiling;
— Clause 10: Terms related to resolution;
— Clause 11: Terms related to electron spectroscopy methods;
— Clause 12: Terms related to electron spectroscopy analysis;

— Clause 13: Terms related to X-ray fluorescence, reflection and scattering methods;

— Clause 14: Terms related to X-ray fluorescence, reflection and scattering analysis;

— Clause 15: Terms related to glow discharge methods;
— Clause 16: Terms related to glow discharge analysis;
— Clause 17: Terms related to ion scattering methods;
— Clause 18: Terms related to ion scattering analysis;
— Clause 19: Terms related to surface mass spectrometry methods;
— Clause 20: Terms related to surface mass spectrometry analysis;
— Clause 21: Terms related to atom probe tomography;
— Clause 22: Terms related to multivariate analysis.
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FINAL DRAFT INTERNATIONAL STANDARD ISO/FDIS 18115-1:2023(E)
Surface chemical analysis — Vocabulary —
Part 1:
General terms and terms used in spectroscopy
1 Scope

This part of the ISO 18115 series defines terms for surface chemical analysis. It covers general terms

and those used in spectroscopy, while ISO 18115-2 covers terms used in scanning-probe microscopy

and ISO 18115-3 covers terms used in optical interface analysis.
2 Normative references
There are no normative references in this document.
3 Terms related to general concepts in surface chemical analysis

ISO and IEC maintain terminology databases for use in standardization at the following addresses:

— ISO Online browsing platform: available at https:// www .iso .org/ obp
— IEC Electropedia: available at https:// www .electropedia .org/
3.1
interface

boundary between two phases having different chemical, elemental, or physical properties

3.2
surface
interface (3.1) between a condensed phase and a gas, vapour, or free space
3.3
measurand
quantity intended to be measured
[1]

[SOURCE: ISO/IEC Guide 99:2007, 2.3, modified — The notes to entry have been deleted.]

3.4
analyte
substance or chemical constituent that is subjected to measurement
3.5
chemical species
atom, molecule, ion, or functional group
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ISO/FDIS 18115-1:2023(E)
3.6
unified atomic mass unit
dalton
unit equal to 1/12 of the mass of the nuclide C at rest and in its ground state
−27

Note 1 to entry: 1 u ≈ 1,660 538 86 × 10 kg with a one-standard-deviation uncertainty of ±0,000 000

−27 [2]

28 × 10 kg. This is a non-SI unit, accepted for use with the International System, whose value in SI units is

obtained experimentally.

Note 2 to entry: The term dalton, symbol Da, is preferred over unified atomic mass unit as it is both shorter and

works better with prefixes.

Note 3 to entry: The above definition was agreed upon by the International Union of Pure and Applied Physics

in 1960 and the International Union of Pure and Applied Chemistry in 1961, resolving a longstanding difference

between chemists and physicists. The unified atomic mass unit replaced the atomic mass unit (chemical scale)

and the atomic mass unit (physical scale), both having the symbol amu. The amu (physical scale) was one-

sixteenth of the mass of an atom of oxygen-16. The amu (chemical scale) was one-sixteenth of the average mass

of oxygen atoms as found in nature. In the 1998 CODATA, 1 u = 1,000 317 9 amu (physical scale) = 1,000 043 amu

(chemical scale).
3.7
reference method

thoroughly investigated method, clearly and exactly describing the necessary conditions and

procedures for the measurement of one or more property values, that has been shown to have accuracy

and precision commensurate with its intended use and that can therefore be used to assess the

accuracy of other methods for the same measurement, particularly in permitting the characterization

of a reference material (5.1)
[3]
[SOURCE: ISO Guide 30:1992+A1: 2008 ]
3.8
quantitative analysis
determination of the amount of analyte (3.4) detected in, or on, a sample
Note 1 to entry: The analytes can be elemental or compound in nature.

Note 2 to entry: The amounts can be expressed, for example, as atomic or mass percent, atomic or mass fraction,

mole or mass per unit volume, as appropriate or as desired.

Note 3 to entry: The sample material can be inhomogeneous so that a particular model structure may be assumed

in the interpretation. Details of that model should be stated.
3.9
detection limit

smallest amount of an element or compound that can be measured under specified analysis conditions

Note 1 to entry: The detection limit is often taken to correspond to the amount of material for which the total

signal for that material minus the background signal (3.21) is three times the standard deviation of the signal

above the background signal. This approach is simplistic and, for more accurate and rigorous definitions of

detection limits, the References [4] and [5] should be consulted.

Note 2 to entry: The detection limit can be expressed in many ways, depending on the purpose. Examples of ways

of expressing it are mass or weight fraction, atomic fraction, concentration, number of atoms, and mass or weight.

Note 3 to entry: The detection limit is generally different for different materials.

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ISO/FDIS 18115-1:2023(E)
3.10
matrix effects

change in the intensities or spectral information per atom of the analyte (3.4) arising from change in

the chemical or physical environment

Note 1 to entry: Examples of these environments are varying sample morphologies [e.g. thin films (5.13), clusters,

fibres, nanostructures] of different dimensions, the amorphous or crystalline state, changes of matrix species,

and the proximity of other physical phases or chemical species (3.5).
3.11
matrix factor

factors, arising from the composition of the matrix, for multiplying the quotient of the measured

intensity and the appropriate sensitivity factor in formulae to determine the composition using surface

analytical techniques

Note 1 to entry: See average matrix sensitivity factor and pure-element sensitivity factor.

Note 2 to entry: In methods such as AES (11.1), the matrix factor is determined in part by the composition of the

sub-surface material and in part by the composition of the analysis volume (8.48) in the sample.

3.12
absolute elemental sensitivity factor

coefficient for an element by which the measured intensity for that element is divided to yield the

atomic concentration or atomic fraction of the element present in the sample
Note 1 to entry: See elemental relative sensitivity factor (12.92) (20.61).

Note 2 to entry: The choice of atomic concentration or atomic fraction should be made clear.

Note 3 to entry: The type of sensitivity factor utilized should be appropriate for the formulae used in the

quantification process and for the type of sample analysed, for example homogeneous samples or segregated

layers.

Note 4 to entry: The source of sensitivity factors should be given to ensure that the correct matrix factors (3.11)

or other parameters are used.

Note 5 to entry: Sensitivity factors depend on parameters of the excitation source, the spectrometer, and the

orientation of the sample to these parts of the instrument. Sensitivity factors also depend on the matrix being

analysed, and in SIMS (19.1) this has a dominating influence.
3.13
step size

distance between values in measurand (3.3) space from which individual data points are acquired

3.14
sweep
single, complete acquisition of one set of data
3.15
peak intensity
measure of signal intensity (3.17) for a constituent spectral peak

Note 1 to entry: Intensity is usually measured for quantitative purposes which can be the height of the peak

above a defined background or the peak area (3.16). The units can be counts (3.18), counts⋅electron volts, counts

per second, counts⋅electron volts per second, counts per amu, counts per second per amu, etc. For differential

spectra, the intensity can be the peak-to-peak height or the peak-to-background height. The measure of intensity

should be defined and the units stated in each case.

Note 2 to entry: The meaning is very rarely the literal meaning of the intensity value at the top of the measured

peak either before or after removal of any background.
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ISO/FDIS 18115-1:2023(E)
3.16
peak area
area under a peak in a spectrum after background removal

Note 1 to entry: See inelastic electron scattering background subtraction (12.85) and signal intensity (3.17).

Note 2 to entry: The peak area can be expressed in counts (3.18), counts per second, counts⋅electron volts,

counts⋅electron volts per second, counts per amu, or other units.
3.17
signal intensity

strength of a measured signal at a spectrometer detector or after some defined processing

Note 1 to entry: The signal intensity is subject to significant change between the points of generation and

detection of the signal and, further, between the points of detection and display on the measuring instrument.

Note 2 to entry: The signal intensity can be expressed in counts (3.18) (per channel) or counts per second

(per channel) or counts⋅electron volts per second or other units. In AES (11.1), the differential of the signal

intensity may be obtained by analogue modulation (12.61) of an electrode in the spectrometer or by numerical

differentiation of the spectrum. The type of signal shall be defined.

Note 3 to entry: In an electron or mass spectrum (20.58), the measured spectrum integrated over energy or

mass and solid angle is equal to a current. If the spectrometer has been calibrated, the units of intensity can be

−1 −1 −1 −1

current⋅eV ⋅sr or current⋅amu ⋅sr . If the spectrum has been normalized to unit primary-beam (8.10) current,

−1 −1 −1 −1

the appropriate units would be eV ⋅sr or amu ⋅sr . If the spectrum has also been integrated over the emission

−1 −1
solid angle, the appropriate units would be eV or amu .
3.18
counts
total number of pulses recorded by a detector system in a defined time interval

Note 1 to entry: The counts can be representative, one-for-one with the particles being detected [in the absence

of dead time (7.17) losses in the counting measurement] in which case they follow Poissonian statistics [unless

other noise (3.19) sources are present] or they can simply be proportional to the number of particles being

detected. The type of measure shall be clearly stated.

Note 2 to entry: In multidetector systems, the apportion of counts into relevant channels of the spectrum can lead

to changes from the expected Poissonian statistics in each channel since the counts in neighbouring channels can

be partly correlated.
3.19
noise

time-varying disturbances superimposed on the analytical signal with fluctuations, leading to

uncertainty in the signal intensity (3.17)

Note 1 to entry: An accurate measure of noise can be determined from the standard deviation of the fluctuations.

Visual or other estimates, such as peak-to-peak noise in a spectrum, can be useful as semiquantitative measures

of noise.

Note 2 to entry: The fluctuations in the measured intensity can arise from a number of causes, such as statistical

noise (3.20) and electrical interference.
3.20
statistical noise

noise (3.19) in the spectrum due solely to the statistics of randomly detected single events

Note 1 to entry: For single-particle counting systems exhibiting Poisson statistics, the standard deviation of a

large number of measures of an otherwise steady count rate, N, each in the same time interval, is equal to the

square root of N.

Note 2 to entry: In multidetector systems, the data processing required to generate the output spectrum can lead

to statistical correlation between adjacent channels and also an apparent noise in each channel that is less than

Poissonian.
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ISO/FDIS 18115-1:2023(E)
3.21
background signal

signal present at a particular position, energy, mass or wavelength due to processes or sources other

than those of primary interest

Note 1 to entry: See metastable background (20.36), Shirley background (12.86), Sickafus background (12.87), and

Tougaard background (12.88).
3.22
peak-to-background ratio
signal-to-background ratio

ratio of the maximum height of the peak above the background intensity to the magnitude of that

background intensity

Note 1 to entry: Signal-to-background ratio is the more commonly used term in GDS (15.1), where it is abbreviated

to SBR. Peak-to-background ratio is the more commonly used term for types of electron spectroscopies such as

AES (11.1) and XPS (11.6).

Note 2 to entry: The method of estimating the background intensity shall be given. For AES, the background

intensity is often determined at a kinetic energy (3.35) just above the peak of interest.

3.23
signal-to-noise ratio

ratio of the signal intensity (3.17) to a measure of the total noise (3.19) in determining that signal

Note 1 to entry: See statistical noise (3.20).

Note 2 to entry: The noise in AES (11.1) is often measured at a convenient region of the spectral background close

to the peak.
3.24
smoothing
mathematical treatment of data to reduce the apparent noise (3.19)
3.25
interference signal

signal, measured at the mass, energy, or wavelength position of

interest, due to another, undesired, species

Note 1 to entry: In general laboratory use, interference can be used more broadly to indicate electrical noise

(3.19), line pick-up, or other unwanted contributions to the detected signal.
3.26
relative standard deviation of the background

quotient of the standard deviation characterizing the noise (3.19) in the background signal (3.21) by the

intensity of the background signal
3.27
lineshape
measured shape of a particular spectral feature
3.28
peak width
width of a peak at a defined fraction of the peak height
Note 1 to entry: See intrinsic linewidth (12.22).
Note 2 to entry: Any background subtraction method used should be specified.

Note 3 to entry: The most common measure of peak width is the full width of the peak at half maximum (FWHM)

intensity.
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ISO/FDIS 18115-1:2023(E)

Note 4 to entry: For asymmetrical peaks, convenient measures of peak width are the half-widths of each side of

the peak at half maximum intensity.
3.29
peak fitting

procedure whereby a spectrum, generated by peak synthesis (3.30), is adjusted to match a measured

spectrum

Note 1 to entry: A least-squares optimization procedure is generally used in a computer programme for this

purpose.

Note 2 to entry: The selected peak shape and the background shape should be defined. Any constraints imposed

on the adjustment process should also be defined.
3.30
peak synthesis

procedure whereby a synthetic spectrum is generated, using either model or experimental peak shapes,

in which the number of peaks, the peak shapes, the peak widths (3.28), the peak positions, the peak

intensities, and the background shape and intensity are adjusted for peak fitting (3.29)

Note 1 to entry: The selected peak shape and the background shape should be defined.

3.31
lateral profile

chemical or elemental composition, signal intensity (3.17) or processed intensity information from the

available software measured in a specified direction parallel to the surface (3.2)

Note 1 to entry: See line scan (8.56).
3.32
depth profile
vertical profile

chemical or elemental composition, signal intensity (3.17) or processed intensity information from the

available software measured in a direction normal to the surface (3.2)
Note 1 to entry: See compositional depth profile (3.33).
3.33
compositional depth profile
CDP

atomic or molecular composition measured as a function of distance normal to the surface (3.2)

3.34
depth profiling

monitoring of signal intensity (3.17) as a function of a variable that can be related to distance normal to

the surface (3.2)
Note 1 to entry: See compositional depth profile (3.33).

Note 2 to entry: In a sputter depth profile (9.1) the signal intensity is usually measured as a function of the

sputtering (9.3) time.
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ISO/FDIS 18115-1:2023(E)
3.35
kinetic energy
energy of motion

Note 1 to entry: The energy of a charged particle due to motion is not necessarily constant and varies with the

local electric potential. If all local electrodes are at ground potential, the kinetic energy of the particle varies

with the local vacuum level (12.10). This vacuum level can vary over a range of 1 eV in different regions of AES

(11.1) and XPS (11.6) instruments and measured electron energies can similarly vary. This variation is removed

if the kinetic energies are referred to the Fermi level (12.9). In XPS, by convention, the Fermi level is always used

but in AES both vacuum (12.76) and Fermi level referencing (12.75) are practised. Instruments capable of both

AES and XPS are Fermi level referenced. Fermi level referencing is recommended for accurate measurements of

energies in AES. In electron spectrometers (12.58), Fermi level referenced energies are typically 4,5 eV greater

than those referenced to the vacuum level. It is convenient in AES to assume a standard vacuum level (12.11) of

4,500 eV above the Fermi level s
...

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