diff --git a/applications/NXxas_new.nxdl.xml b/applications/NXxas_new.nxdl.xml index e6864bdb83..449859d32f 100644 --- a/applications/NXxas_new.nxdl.xml +++ b/applications/NXxas_new.nxdl.xml @@ -110,7 +110,7 @@ Excited element - + Excited electron level @@ -121,7 +121,7 @@ The emission lines are described as a list of names of the form *"INITIAL-FINAL"* where *INITAL* and *FINAL* are electron levels - as listed for :ref:`here </NXelectron_level/name-field>`. + as listed for :ref:`here </NXxray_level/name-field>`. diff --git a/base_classes/NXelectron_level.nxdl.xml b/base_classes/NXelectron_level.nxdl.xml deleted file mode 100644 index 97ed107ee6..0000000000 --- a/base_classes/NXelectron_level.nxdl.xml +++ /dev/null @@ -1,61 +0,0 @@ - - - - - TODO ??? levels of electrons in atoms. - - - TODO Name of the atomic orbital in IUPAC or X-ray notation. - - The corresponding atomic notation *nlj* is also given, where *n* the principal quantum number, - *l* the orbital angular momentum quantum number (expressed with letters s, p, d, ...) and *j = l + s* - (*s=±½* the spin quantum number). - - - 1s1/2 - 2s1/2 - 2p1/2 - 2p3/2 - 3s1/2 - 3p1/2 - 3p3/2 - 3d3/2 - 3d5/2 - 4s1/2 - 4p1/2 - 4p3/2 - 4d3/2 - 4d5/2 - 4f5/2 - 4f7/2 - - - diff --git a/base_classes/NXxray_level.nxdl.xml b/base_classes/NXxray_level.nxdl.xml new file mode 100644 index 0000000000..7ef382915b --- /dev/null +++ b/base_classes/NXxray_level.nxdl.xml @@ -0,0 +1,90 @@ + + + + + + The electronic state of an atom occurring as initial or final state of a process + involving the absorption or emission of X-ray radiation. + + The energy of an atom with one missing electron is referred to as an *X-ray level*. It is a + multi-electronic state which occurs as a result of the photoemission of one electron. + + + + The *X-ray level* name as recommended by `IUPAC <https://doi.org/10.1002/xrs.1300200308>`_. + + The corresponding :math:`nl_{j}^{-1}` notation of the electron configuration is also provided: + + * *n* the principal quantum number (shell) + * *l* the orbital angular momentum quantum number (subshell, expressed with letters *s=0*, *p=1*, *d=2*, ...) + * *j = l + s* the total angular momentum (spin-orbit splitting) + * *s=±½* the spin angular momentum quantum number + * :math:`^{-1}` refers to one missing electron + + The subshell energy levels are split due to the unpaired electron left behind after photoemission of + one electron, that may have a parallel or antiparallel alignment to the orbital momentum. + + + :math:`1s^{-1}` + :math:`2s^{-1}` + :math:`2p_{1/2}^{-1}` + :math:`2p_{3/2}^{-1}` + :math:`3s^{-1}` + :math:`3p_{1/2}^{-1}` + :math:`3p_{3/2}^{-1}` + :math:`3d_{3/2}^{-1}` + :math:`3d_{5/2}^{-1}` + :math:`4s^{-1}` + :math:`4p_{1/2}^{-1}` + :math:`4p_{3/2}^{-1}` + :math:`4d_{3/2}^{-1}` + :math:`4d_{5/2}^{-1}` + :math:`4f_{5/2}^{-1}` + :math:`4f_{7/2}^{-1}` + :math:`5s^{-1}` + :math:`5p_{1/2}^{-1}` + :math:`5p_{3/2}^{-1}` + :math:`5d_{3/2}^{-1}` + :math:`5d_{5/2}^{-1}` + :math:`5f_{5/2}^{-1}` + :math:`5f_{7/2}^{-1}` + :math:`5g_{7/2}^{-1}` + :math:`5g_{9/2}^{-1}` + :math:`6s^{-1}` + :math:`6p_{1/2}^{-1}` + :math:`6p_{3/2}^{-1}` + :math:`6d_{3/2}^{-1}` + :math:`6d_{5/2}^{-1}` + :math:`6f_{5/2}^{-1}` + :math:`6f_{7/2}^{-1}` + + +