2.3.3.3.144. NXraman

Status:

application definition (contribution), extends NXoptical_spectroscopy

Description:

An application definition for Raman spectroscopy experiments. ...

An application definition for Raman spectroscopy experiments.

This application definition supports a wide range of Raman spectroscopy experiments. These may be as simple as acquiring a single Raman spectrum from spontaneous Raman scattering, or as complex as Raman imaging with a Raman spectrometer. The scope also includes surface- and tip-enhanced Raman techniques, X-ray Raman scattering, resonant Raman scattering, and multidimensional Raman spectra collected under varying conditions such as temperature, pressure, or electric field.

The application definition comprises two main components:

1. Structures defined in NXoptical_spectroscopy: * Instrument configuration and data calibration * Sensors monitoring sample or beam conditions

2. Structures specified and extended in NXraman: * Description of the experiment type * Metadata and configuration of the optical setup (e.g., source, monochromator, detector, waveplate, lens) * Detailed description of beam properties and their interaction with the sample * Sample-specific 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_scattering_configurations: Number of scattering configurations used in the measurement. It is 1 for only parallel polarization measurement, 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 spectroscopy. ...

An application definition for Raman spectroscopy.

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 or a custom value (if you use a custom value, also set @custom=True):

  • 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)

INSTRUMENT: (required) NXinstrument ⤆

Metadata of the setup, its optical elements and physical properties which ...

Metadata of the setup, its optical elements and physical properties which defines the Raman measurement.

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 orthogonal 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