2.3.3.3.179. NXraman

Status:

application definition, extends NXoptical_spectroscopy

Description:

An application definition for Raman spectrocopy experiments. ...

An application definition for Raman spectrocopy experiments.

Such experiments may be as simple a single Raman spectrum from spontanous Raman scattering and range to Raman imaging Raman spectrometer, surface- and tip-enhanced Raman techniques, x-Ray Raman scattering, as well as resonant Raman scattering phenomena or multidimenional Raman spectra (i.e. varying temperature, pressure, electric field, ….)

The application definition contains two things: 1. The structures in the application definition of NXopt: * Instrument and data calibrations * Sensors for sample or beam conditions

AND

2. The strucutres specified and extended in NXraman: * description of the experiment type * descroption of the setup’s meta data and optical elements (source, monochromator, detector, waveplate, lens, etc.) * description of beam properties and their relations to the sample * sample information

Information on Raman spectroscopy are provided in:

General

  • Lewis, Ian R.; Edwards, Howell G. M. Handbook of Raman Spectroscopy ISBN 0-8247-0557-2

Raman scattering selection rules

  • Dresselhaus, M. S.; Dresselhaus, G.; Jorio, A. Group Theory - Application to the Physics ofCondensed Matter ISBN 3540328971

Semiconductors

  • Manuel Cardona Light Scattering in Solids I eBook ISBN: 978-3-540-37568-5 DOI: https://doi.org/10.1007/978-3-540-37568-5

  • Manuel Cardona, Gernot Güntherodt Light Scattering in Solids II eBook ISBN: 978-3-540-39075-6 DOI: https://doi.org/10.1007/3-540-11380-0

  • See as well other Books from the “Light Scattering in Solids” series: III: Recent Results IV: Electronic Scattering, Spin Effects, SERS, and Morphic Effects V: Superlattices and Other Microstructures VI: Recent Results, Including High-Tc Superconductivity VII: Crystal-Field and Magnetic Excitations VIII: Fullerenes, Semiconductor Surfaces, Coherent Phonons IX: Novel Materials and Techniques

Glasses, Liquids, Gasses, …

Review articles: Stimulated Raman scattering, Coherent anti-Stokes Raman scattering, Surface-enhanced Raman scattering, Tip-enhanced Raman scattering * https://doi.org/10.1186/s11671-019-3039-2

Symbols:

Variables used throughout the document, e.g. dimensions or parameters.

N_spectrum: Length of the spectrum array (e.g. wavelength or energy) of the measured data.

N_measurements: Number of measurements (1st dimension of measured_data array). This is equal to the number of parameters scanned. For example, if the experiment was performed at three different temperatures and two different pressures N_measurements = 2*3 = 6.

N_detection_angles: Number of detection angles of the beam reflected or scattered off the sample.

N_incident_angles: Number of angles of incidence of the incident beam.

N_scattering_configurations: Number of scattering configurations used in the measurement. It is 1 for only parallel polarization meausement, 2 for parallel and cross polarization measurement or larger, if i.e. the incident and scattered photon direction is varied.

Groups cited:

NXbeam, NXentry, NXinstrument

Structure:

ENTRY: (required) NXentry

definition: (required) NX_CHAR

An application definition for Raman spectrsocopy. ...

An application definition for Raman spectrsocopy.

Obligatory value: NXraman

@version: (required) NX_CHAR

Version number to identify which definition of this application ...

Version number to identify which definition of this application definition was used for this entry/data.

@URL: (required) NX_CHAR

URL where to find further material (documentation, examples) relevant ...

URL where to find further material (documentation, examples) relevant to the application definition.

title: (recommended) NX_CHAR

experiment_type: (required) NX_CHAR

Specify the type of the optical experiment. ...

Specify the type of the optical experiment.

You may specify fundamental characteristics or properties in the experimental sub-type.

Obligatory value: Raman spectroscopy

raman_experiment_type: (required) NX_CHAR

Specify the type of Raman experiment. ...

Specify the type of Raman experiment.

Any of these values:

  • in situ Raman spectroscopy

  • resonant Raman spectroscopy

  • non-resonant Raman spectroscopy

  • Raman imaging

  • tip-enhanced Raman spectroscopy (TERS)

  • surface-enhanced Raman spectroscopy (SERS)

  • surface plasmon polariton enhanced Raman scattering (SPPERS)

  • hyper Raman spectroscopy (HRS)

  • stimulated Raman spectroscopy (SRS)

  • inverse Raman spectroscopy (IRS)

  • coherent anti-Stokes Raman spectroscopy (CARS)

  • other

raman_experiment_type_other: (optional) NX_CHAR

If the raman_experiment_type is other, a name should be specified here.

INSTRUMENT: (required) NXinstrument

scattering_configuration: (required) NX_CHAR

Scattering configuration as defined by the porto notation by three ...

Scattering configuration as defined by the porto notation by three states, which are othogonal to each other. Example: z(xx)z for parallel polarized backscattering configuration.

See: https://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-doc-raman

A(BC)D

A = The propagation direction of the incident light (k_i) B = The polarization direction of the incident light (E_i) C = The polarization direction of the scattered light (E_s) D = The propagation direction of the scattered light (k_s)

An orthogonal base is assumed. Linear polarized light is displayed by e.g. “x”,”y” or “z” Unpolarized light is displayed by “.” For non-orthogonal vectors, use the attribute porto_notation_vectors.

@porto_notation_vectors: (recommended) NX_NUMBER

Scattering configuration as defined by the porto notation given by ...

Scattering configuration as defined by the porto notation given by respective vectors.

Vectors in the porto notation are defined as for A, B, C, D above. Linear light polarization is assumed.

beam_incident: (required) NXbeam

Beam which is incident to the sample.

wavelength: (required) NX_NUMBER

Hypertext Anchors

List of hypertext anchors for all groups, fields, attributes, and links defined in this class.

NXDL Source:

https://github.com/FAIRmat-NFDI/nexus_definitions/tree/fairmat/contributed_definitions/NXraman.nxdl.xml