Spectroscopic Properties

Purpose: Spectroscopic properties: absorption, XAS, and dielectric functions

Relationship map

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classDiagram
    class AbsorptionSpectrum
    class Energy2
    class Frequency
    class Permittivity
    class SpectralProfile
    class XASSpectrum
    SpectralProfile <|-- AbsorptionSpectrum
    AbsorptionSpectrum <|-- XASSpectrum
    Permittivity *-- Frequency : frequencies
    SpectralProfile *-- Energy2 : energies
    SpectralProfile *-- Energy2 : frequencies
    XASSpectrum *-- AbsorptionSpectrum : exafs_spectrum
    XASSpectrum *-- AbsorptionSpectrum : xanes_spectrum

Legend

inheritance (is-a)

composition (has-a)

Quantities by Key Sections

SpectralProfile

Section	Description	MetaInfo
SpectralProfile	A base section used to define the spectral profile.	Open in MetaInfo browser

Quantity	Type	Description
value	m_float_bounded(float) (shape: ['*'])	The value of the intensities of a spectral profile. Must be positive.

AbsorptionSpectrum

Section	Description	MetaInfo
AbsorptionSpectrum		Open in MetaInfo browser

Quantity	Type	Description
axis	Enum	Axis of the absorption spectrum. This is related with the polarization direction, and can be seen as the principal term in the tensor Permittivity.value (see permittivity.py module).

XASSpectrum

Section	Description	MetaInfo
XASSpectrum	X-ray Absorption Spectrum (XAS).	Open in MetaInfo browser

This section has no direct quantities.

Permittivity

Section	Description	MetaInfo
Permittivity	Response of the material to polarize in the presence of an electric field.	Open in MetaInfo browser

Quantity	Type	Description
type	Enum	Type of permittivity which allows to identify if the permittivity depends on the frequency or not.
value	m_complex128(complex) (shape: ['*'])	Value of the permittivity tensor. If the value does not depend on the scattering vector q, then we can extract the optical absorption spectrum from the imaginary part of the permittivity tensor (this is also called macroscopic dielectric function).