CASTEP > Dialogs in CASTEP > CASTEP Analysis dialog > Core level spectroscopy selection > CASTEP EELS Analysis Options dialog

CASTEP EELS Analysis Options dialog

The CASTEP EELS Analysis Options dialog allows you to specify the parameters controlling the core level spectroscopy broadening options.

Spectrum: Reports the spectrum specified on the CASTEP Analysis dialog when Core level spectroscopy is selected.

Instrumental smearing: Specify the Gaussian broadening from the instrument to be used. Default = 0.2 eV.

Lifetime effects: When checked, lifetime broadening effects will be taken into account.

Core level broadening: Specify the broadening to be used at the core level. Default values for lifetime broadening are tabulated based on the compilation by Fuggle and Inglesfield (1992).

Reset broadening to default: Resets the Core level broadening to its default value.

Include spin-orbit splitting: When checked, spin-orbit splitting for the core level is added to the spectrum.

Spin-orbit splitting: Specify the value of the core level spin-orbit splitting to be used. Default values for spin-orbit splitting are taken from atomic spectroscopic data (see the WebElements Periodic Table). These values represent the difference between reported binding energies for core electrons of the given species, for example the difference between 2p1/2 and 2p3/2 gives the L2,3 splitting.

Reset spin-orbit splitting to default: Resets the Spin-orbit splitting to its default value.

Normalize spectrum: When checked, the resulting spectrum will be normalized to 1 at maximum.

Help: Displays this Help topic.

Access methods

Menu Modules | CASTEP | Analysis | Core level spectroscopy | More...
Toolbar CASTEP | Analysis | Core level spectroscopy | More...
See Also:

Displaying core level spectra
Core level spectroscopy
Core level spectroscopy selection - CASTEP Analysis dialog

Accelrys Materials Studio 8.0 Help: Wednesday, December 17, 2014
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