3.3.3.10. NXabsorption_edge

Status:

base class (contribution), extends NXobject

Description:

An absorption edge is a sharp discontinuity in the X-ray absorption spectrum ...

An absorption edge is a sharp discontinuity in the X-ray absorption spectrum of an atom that occurs when the incident photon energy reaches the threshold energy for exciting the atom from its neutral ground state to a core-vacancy state.

Symbols:

No symbol table

Groups cited:

NXatom

Structure:

name: (optional) NX_CHAR

Name of the absorption edge using `IUPAC notation`_ (e.g., ``K``, ...

Name of the absorption edge using IUPAC notation (e.g., K, L2, M5), which identifies the core-vacancy state of the atom.

Correspondence between IUPAC notation and electron configuration, expressed as vacancy notation (superscript \(-1\)):

IUPAC

Electron configuration

K

\(1s^{-1}\)

L1

\(2s^{-1}\)

L2

\(2p_{1/2}^{-1}\)

L3

\(2p_{3/2}^{-1}\)

M1

\(3s^{-1}\)

M2

\(3p_{1/2}^{-1}\)

M3

\(3p_{3/2}^{-1}\)

M4

\(3d_{3/2}^{-1}\)

M5

\(3d_{5/2}^{-1}\)

N1

\(4s^{-1}\)

N2

\(4p_{1/2}^{-1}\)

N3

\(4p_{3/2}^{-1}\)

N4

\(4d_{3/2}^{-1}\)

N5

\(4d_{5/2}^{-1}\)

N6

\(4f_{5/2}^{-1}\)

N7

\(4f_{7/2}^{-1}\)

O1

\(5s^{-1}\)

O2

\(5p_{1/2}^{-1}\)

O3

\(5p_{3/2}^{-1}\)

O4

\(5d_{3/2}^{-1}\)

O5

\(5d_{5/2}^{-1}\)

O6

\(5f_{5/2}^{-1}\)

O7

\(5f_{7/2}^{-1}\)

P1

\(6s^{-1}\)

P2

\(6p_{1/2}^{-1}\)

P3

\(6p_{3/2}^{-1}\)

P4

\(6d_{3/2}^{-1}\)

P5

\(6d_{5/2}^{-1}\)

Per IUPAC, subscripts may be dropped when unknown or irrelevant. When two spin-orbit split levels are not distinguished, they may be written together (e.g. L2,3).

Any of these values:

  • K

  • L1

  • L2

  • L3

  • L2,3

  • M1

  • M2

  • M3

  • M2,3

  • M4

  • M5

  • M4,5

  • N1

  • N2

  • N3

  • N2,3

  • N4

  • N5

  • N4,5

  • N6

  • N7

  • N6,7

  • O1

  • O2

  • O3

  • O2,3

  • O4

  • O5

  • O4,5

  • O6

  • O7

  • O6,7

  • P1

  • P2

  • P3

  • P2,3

  • P4

  • P5

  • P4,5

energy: (optional) NX_FLOAT {units=NX_ENERGY}

Energy of the absorption edge.

atom: (optional) NXatom

The atom whose core electron is excited at this absorption edge.

name: (optional) NX_CHAR

Chemical symbol of the element (e.g. Fe, Cu).

Hypertext Anchors

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

NXDL Source:

https://github.com/nexusformat/definitions/blob/main/contributed_definitions/NXabsorption_edge.nxdl.xml