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Overview of Atomic and X-ray Data
======================================
The data provided in XrayDB includes Atomic data and characteristic
energies and cross sections for the interaction of X-rays with elements. A
few definitions and conventions necessary for using this data are discussed
here.
Elements
-----------
Most of the data resources are accessed by an elements *Atomic Symbol*.
For the Python module, most methods will take `element` as the first
argument, and this can either be the integer atomic number or the string
for the atomic symbol.
Physical Units
-----------------
Elemental densities are given in gr/cm^3, and molar masses are given in
AMU. Unless otherwise stated, all energies are in units of eV.
X-ray Edges
--------------
Several resources (database tables, python methods) take either an ``edge``
or a ``level`` argument to signify a core electronic level. These are
strings and must be one of the levels listed in the :ref:`Table of X-ray
edge names <xraydb-edge_table>`.
.. index:: Table of X-ray Edges
.. _xraydb-edge_table:
Table of X-ray Edges and Core electronic levels. The Names are the
IUPAC symbols for the core electronic levels.
+-----+-------------------+-----+-------------------+
|Name |electronic level |Name |electronic level |
+=====+===================+=====+===================+
| K | :math:`1s` | N5 | :math:`4d_{5/2}` |
+-----+-------------------+-----+-------------------+
| L3 | :math:`2p_{3/2}` | N4 | :math:`4d_{3/2}` |
+-----+-------------------+-----+-------------------+
| L2 | :math:`2p_{1/2}` | N3 | :math:`4p_{3/2}` |
+-----+-------------------+-----+-------------------+
| L1 | :math:`2s` | N2 | :math:`4p_{1/2}` |
+-----+-------------------+-----+-------------------+
| M5 | :math:`3d_{5/2}` | N1 | :math:`4s` |
+-----+-------------------+-----+-------------------+
| M4 | :math:`3d_{3/2}` | O3 | :math:`5p_{3/2}` |
+-----+-------------------+-----+-------------------+
| M3 | :math:`3p_{3/2}` | O2 | :math:`5p_{1/2}` |
+-----+-------------------+-----+-------------------+
| M2 | :math:`3p_{1/2}` | O1 | :math:`5s` |
+-----+-------------------+-----+-------------------+
| M1 | :math:`3s` | P3 | :math:`6p_{3/2}` |
+-----+-------------------+-----+-------------------+
| N7 | :math:`4f_{7/2}` | P2 | :math:`6p_{1/2}` |
+-----+-------------------+-----+-------------------+
| N6 | :math:`4f_{5/2}` | P1 | :math:`6s` |
+-----+-------------------+-----+-------------------+
X-ray Lines
--------------
Many resources (database tables or methods) take emission line arguments.
These are all strings and follow the latinized version of the Siegbahn
notation as indicated in the :ref:`Table of X-ray emission line names
<xraydb-lines_table>`.
.. index:: Table of X-ray emission lines
.. _xraydb-lines_table:
Table of X-ray emission line names and the corresponding Siegbahn and IUPAC notations
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Name | IUPAC | Siegbahn | Name | IUPAC | Siegbahn |
+========+===========+=============================+========+=============+=============================+
| Ka1 | K-L3 | :math:`K\alpha_1` | Lb4 | L1-M2 | :math:`L\beta_4` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Ka2 | K-L2 | :math:`K\alpha_2` | Lb5 | L3-O4,5 | :math:`L\beta_5` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Ka3 | K-L1 | :math:`K\alpha_3` | Lb6 | L3-N1 | :math:`L\beta_6` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Kb1 | K-M3 | :math:`K\beta_1` | Lg1 | L2-N4 | :math:`L\gamma_1` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Kb2 | K-N2,3 | :math:`K\beta_2` | Lg2 | L1-N2 | :math:`L\gamma_2` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Kb3 | K-M2 | :math:`K\beta_3` | Lg3 | L1-N3 | :math:`L\gamma_3` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Kb4 | K-N4,5 | :math:`K\beta_2` | Lg6 | L2-O4 | :math:`L\gamma_6` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Kb5 | K-M4,5 | :math:`K\beta_3` | Ll | L3-M1 | :math:`Ll` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| La1 | L3-M5 | :math:`L\alpha_1` | Ln | L2-M1 | :math:`L\nu` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| La2 | L3-M4 | :math:`L\alpha_1` | Ma | M5-N6,7 | :math:`M\alpha` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Lb1 | L2-M4 | :math:`L\beta_1` | Mb | M4-N6 | :math:`M\beta` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Lb2,15 | L3-N4,5 |:math:`L\beta_2,L\beta_{15}` | Mg | M3-N5 | :math:`M\gamma` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
| Lb3 | L1-M3 | :math:`L\beta_3` | Mz | M4,5-N6,7 | :math:`M\zeta` |
+--------+-----------+-----------------------------+--------+-------------+-----------------------------+
Cross Sections
------------------
The photo-absorption and scattering cross sections from :cite:`Elam_Ravel_Sieber`
and :cite:`Chantler` are in cm^2/gr.
The data from :cite:`Elam_Ravel_Sieber` is held as logarithms of energy, cross
section, and logarithm of the 2nd derivative of cross section that allows
for cubic spline interpolation in log-log space.
|
