2.3.3.3.216. NXxps

Status:

application definition, extends NXmpes

Description:

This is the application definition for X-ray photoelectron spectroscopy.

Symbols:

No symbol table

Groups cited:

NXbeam, NXcalibration, NXcollectioncolumn, NXcoordinate_system_set, NXcoordinate_system, NXdata, NXelectronanalyser, NXenergydispersion, NXentry, NXinstrument, NXprocess_mpes, NXsample, NXsource, NXtransformations

Structure:

ENTRY: (required) NXentry ⤆

definition: (required) NX_CHAR ⤆

Obligatory value: NXxps

method: (required) NX_CHAR ⤆

A name of the experimental method according to `Clause 11`_ of ...

A name of the experimental method according to Clause 11 of the ISO 18115-1:2023 specification.

Examples for XPS-related experiments include:

  • X-ray photoelectron spectroscopy (XPS)

  • angle-resolved X-ray photoelectron spectroscopy (ARXPS)

  • ultraviolet photoelectron spectroscopy (UPS)

  • hard X-ray photoemission spectroscopy (HAXPES)

  • near ambient pressure X-ray photoelectron spectroscopy (NAPXPS)

  • electron spectroscopy for chemical analysis (ESCA)

geometries: (required) NXcoordinate_system_set ⤆

xps_coordinate_system: (optional) NXcoordinate_system ⤆

In traditional surface science, a left-handed coordinate system is used su ...

In traditional surface science, a left-handed coordinate system is used such that the positive z-axis points along the normal of the sample stage, and the x- and y-axes lie in the plane of the sample stage. However, in NeXus, a coordinate system that is the same as McStas is used. xps_coordinate_system gives the user the opportunity to work in the traditional base coordinate system.

../../_images/xps_cs.png

origin: (required) NX_CHAR ⤆

Obligatory value: sample stage

handedness: (required) NX_CHAR ⤆

Obligatory value: left_handed

z_direction: (required) NX_CHAR ⤆

Obligatory value: sample stage normal

x: (required) NX_CHAR

Obligatory value: [-1, 0, 0]

y: (required) NX_CHAR

Obligatory value: [0, 1, 0]

z: (required) NX_CHAR

Obligatory value: [0, 0, 1]

depends_on: (required) NX_CHAR ⤆

Link to transformations defining the XPS base coordinate system, ...

Link to transformations defining the XPS base coordinate system, which is defined such that the positive z-axis points along the sample stage normal, and the x- and y-axes lie in the plane of the sample stage.

coordinate_system_transformations: (required) NXtransformations ⤆

Set of transformations, describing the orientation of the XPS coordinate ...

Set of transformations, describing the orientation of the XPS coordinate system with respect to the beam coordinate system (.) or any other coordinate system.

The transformations in coordinate_system_transformations depend on the actual instrument geometry. If the z-axis is pointing in the direction of gravity (i.e., if the sample is mounted horizontally), the following transformations can be used for describing the XPS coordinate system with respect to the beam coordinate system (.):

xps_coordinate_system:NXcoordinate_system
  depends_on=entry/geometries/xps_coordinate_system/coordinate_transformations/z_rotation
  coordinate_system_transformations:NXtransformations
    z_rotation=beam_azimuth_angle
      @depends_on=y_flip
      @transformation_type=rotation
      @vector=[0, 0, 1]
      @units=degree
    y_flip=180
      @depends_on=y_rotation
      @transformation_type=rotation
      @vector=[0, 1, 0]
      @units=degree
    y_rotation=beam_polar_angle_of_incidence
      @depends_on=.
      @transformation_type=rotation
      @vector=[0, 1, 0]
      @units=degree

INSTRUMENT: (required) NXinstrument ⤆

Description of the XPS spectrometer and its individual parts. ...

Description of the XPS spectrometer and its individual parts.

This concept is related to term 12.58 of the ISO 18115-1:2023 standard.

sourceTYPE: (required) NXsource ⤆

power: (recommended) NX_FLOAT {units=NX_POWER} ⤆

beamTYPE: (required) NXbeam ⤆

depends_on: (recommended) NX_CHAR ⤆

Reference to the transformation describing the orientation of the beam ...

Reference to the transformation describing the orientation of the beam relative to a defined coordinate system.

transformations: (recommended) NXtransformations ⤆

beam_polar_angle_of_incidence: (required) NX_NUMBER {units=NX_ANGLE} ⤆

Incidence angle of the beam with respect to the upward z-direction, de ...

Incidence angle of the beam with respect to the upward z-direction, defined by the sample stage.

@transformation_type: (required) NX_CHAR ⤆

Obligatory value: rotation

@vector: (required) NX_CHAR

Obligatory value: [0, -1, 0]

@depends_on: (required) NX_CHAR ⤆

Obligatory value: beam_azimuth_angle

beam_azimuth_angle: (required) NX_NUMBER {units=NX_ANGLE} ⤆

Azimuthal rotation of the beam from the y-direction towards the operat ...

Azimuthal rotation of the beam from the y-direction towards the operator, defined by the sample stage.

@transformation_type: (required) NX_CHAR ⤆

Obligatory value: rotation

@vector: (required) NX_CHAR

Obligatory value: [0, 0, -1]

@depends_on: (required) NX_CHAR ⤆

This should point to the last element of the coordinate system trans ...

This should point to the last element of the coordinate system transformations defined in /entry/geometries/xps_coordinate_system/coordinate_system_transformations.

ELECTRONANALYSER: (required) NXelectronanalyser ⤆

work_function: (required) NX_FLOAT ⤆

depends_on: (recommended) NX_CHAR ⤆

Reference to the transformation describing the orientation of the analyz ...

Reference to the transformation describing the orientation of the analyzer relative to a defined coordinate system.

transmission_function: (recommended) NXdata ⤆

COLLECTIONCOLUMN: (required) NXcollectioncolumn ⤆

magnification: (recommended) NX_FLOAT {units=NX_DIMENSIONLESS} ⤆

ENERGYDISPERSION: (required) NXenergydispersion ⤆

diameter: (recommended) NX_NUMBER {units=NX_LENGTH}

energy_scan_mode: (required) NX_CHAR ⤆

transformations: (recommended) NXtransformations ⤆

analyser_take_off_polar_angle: (required) NX_NUMBER {units=NX_ANGLE} ⤆

Polar tilt of the analyser with respect to the upward z-direction, def ...

Polar tilt of the analyser with respect to the upward z-direction, defined by the sample stage.

The angle between the incoming beam and the analyser is given by beam_analyser_angle = beam_polar_angle_of_incidence + analyser_take_off_polar_angle. In practice, the analyser axis is often set as the z axis (analyser_take_off_polar_angle = 0), so that beam_analyser_angle = beam_polar_angle_of_incidence. For magic angle configurations, this angle is 54.5°.

@transformation_type: (required) NX_CHAR ⤆

Obligatory value: rotation

@vector: (required) NX_CHAR

Obligatory value: [0, -1, 0]

@depends_on: (required) NX_CHAR ⤆

Obligatory value: analyser_take_off_azimuth_angle

analyser_take_off_azimuth_angle: (required) NX_NUMBER {units=NX_ANGLE} ⤆

Azimuthal rotation of the analyser from the y-direction towards the op ...

Azimuthal rotation of the analyser from the y-direction towards the operator, defined by the sample stage.

@transformation_type: (required) NX_CHAR ⤆

Obligatory value: rotation

@vector: (required) NX_CHAR

Obligatory value: [0, 0, -1]

@depends_on: (required) NX_CHAR ⤆

This should point to the last element of the coordinate system trans ...

This should point to the last element of the coordinate system transformations defined in /entry/geometries/xps_coordinate_system/coordinate_system_transformations.

PROCESS_MPES: (required) NXprocess_mpes ⤆

energy_referencing: (recommended) NXcalibration ⤆

transmission_correction: (recommended) NXcalibration ⤆

SAMPLE: (required) NXsample ⤆

depends_on: (recommended) NX_CHAR ⤆

Reference to the transformation describing the orientation of the sample ...

Reference to the transformation describing the orientation of the sample relative to a defined coordinate system.

transformations: (recommended) NXtransformations ⤆

sample_rotation_angle: (required) NX_NUMBER {units=NX_ANGLE} ⤆

Clockwise rotation about the sample normal.

@transformation_type: (required) NX_CHAR ⤆

Obligatory value: rotation

@vector: (required) NX_CHAR

Obligatory value: [0, 0, -1]

@depends_on: (required) NX_CHAR ⤆

Obligatory value: sample_normal_polar_angle_of_tilt

sample_normal_polar_angle_of_tilt: (required) NX_NUMBER {units=NX_ANGLE} ⤆

Polar tilt of the sample with respect to the upward z-direction, defined ...

Polar tilt of the sample with respect to the upward z-direction, defined by the sample stage.

@transformation_type: (required) NX_CHAR ⤆

Obligatory value: rotation

@vector: (required) NX_CHAR

Obligatory value: [0, -1, 0]

@depends_on: (required) NX_CHAR ⤆

Obligatory value: sample_normal_tilt_azimuth_angle

sample_normal_tilt_azimuth_angle: (required) NX_NUMBER {units=NX_ANGLE} ⤆

Azimuthal rotation of the sample from the y-direction towards the operat ...

Azimuthal rotation of the sample from the y-direction towards the operator, defined by the sample stage.

@transformation_type: (required) NX_CHAR ⤆

Obligatory value: rotation

@vector: (required) NX_CHAR

Obligatory value: [0, 0, -1]

@depends_on: (required) NX_CHAR ⤆

This should point to the last element of the coordinate system transfo ...

This should point to the last element of the coordinate system transformations defined in /entry/geometries/xps_coordinate_system/coordinate_system_transformations.

data: (required) NXdata ⤆

@energy_indices: (required) NX_CHAR

energy: (required) NX_NUMBER ⤆

@reference: (recommended) NX_CHAR ⤆

Hypertext Anchors

List of hypertext anchors for all groups, fields, attributes, and links defined in this class.

NXDL Source:

https://github.com/FAIRmat-NFDI/nexus_definitions/tree/fairmat/contributed_definitions/NXxps.nxdl.xml