NAME

       Xray::Absorption::Henke - Perl interface to the Henke tables

SYNOPSIS

          use Xray::Absorption;
          Xray::Absorption -> load("henke");

       See the documentation for Xray::Absorption for details.

DESCRIPTION

       This module is inherited by the Xray::Absorption module and provides access to the data contained in the
       Henke tables of anomalous scattering factors and line and edge energies.

       The data in this module, referred to as "The Henke Tables", was published as

         B. L. Henke, E. M. Gullikson, and J. C. Davis,
         Atomic Data and Nuclear Data Tables Vol. 54 No. 2 (July 1993).

       The Henke data is available on the web at http://www-cxro.lbl.gov/optical_constants/ and more information
       about the data can be obtained from Eric Gullikson <EMGullikson@lbl.gov>.

       The data is contained in a database file called henke.db which is generated at install time from the flat
       text files of the Henke data.  The data is stored in a Storable archive using "network" ordering.  This
       allows speedy disk and memory access along with network and platform portability.

       The required "File::Spec", "Chemistry::Elements", "Storable", modules are available from CPAN.

METHODS

       The behaviour of the methods in this module is a bit different from other modules used by
       "Xray::Absorption".  This section describes methods which behave differently for this data resource.

       "get_energy"
           Example:

              $energy = Xray::Absorption -> get_energy($elem, $edge);

           This  behaves similarly to the "get_energy" method of the other resources.  When using the Henke data
           resource, $edge can be any of K, L1-L3, M1-M5,  N1-N7,  O1-O7,  or  P1-P3.   Line  energies  are  not
           supplied with the Henke data set.  The line energies from the McMaster tables are used.

       "cross_section"
           Examples:

              $xsec = Xray::Absorption -> cross_section($elem, $energy, $mode);

              @xsec = Xray::Absorption -> cross_section($elem, \@energy, $mode);

           This  behaves  slightly differently from the similar method for the McMaster and Elam resources.  The
           Henke tables are actually tables of anomalous scattering factors and do not come  with  coherent  and
           incoherent  scattering  cross-sections.   The  photo-electric  cross-section  is  calculated from the
           imaginary part of the anomalous scattering by the formula

                mu = 2 * r_e * lambda * conv * f_2

           where, "r_e" is the classical electron radius, lamdba is the photon wavelength, and conv is  a  units
           conversion factor.

                r_e    = 2.817938 x 10^-15 m
                lambda = 2 pi hbar c / energy
                hbar*c = 1973.27053324 eV*Angstrom
                conv   = Avagadro / atomic weight
                       = 6.022045e7 / weight in cgs

           The $mode argument is different here than for the other resources.  The options are "xsec", "f1", and
           "f2",  telling  this method to return the cross-section or the real or imaginary anomalous scattering
           factor, respectively.

           The values for f1 and f2 are computed by linear interpolation of a semi-log scale.  Care is taken  to
           avoid the discontinuities at the edges.

           Because  the  Henke  tables  do  not  include the coherent and incoherent scattering terms, the value
           returned by "get_energy" may be a bit smaller using the Henke tables  than  that  from  the  McMaster
           tables.

EDGE AND LINE ENERGIES

       The  Henke data resource provides a fairly complete set of edge energies.  Any edge tabulated on the Gwyn
       William's Table of Electron Binding Energies for the Elements (that's the one published by  NSLS  and  on
       the door of just about every hutch at NSLS) is in the Henke data resource.  The Henke data comes with the
       same, limited set of fluorescence energies as McMaster.

BUGS AND THINGS TO DO

       •   It  would  be  nice  to  improve the inter-/extrapolation near absorption edges.  As it stands, these
           tables produce really poor DAFS output.

AUTHOR

         Bruce Ravel, bruce@phys.washington.edu
         http://feff.phys.washington.edu/~ravel/

perl v5.34.0                                       2022-06-28                       Xray::Absorption::Henke(3pm)