3.3.2.27. NXraman

Status:

application definition, 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, links, and symbols defined in this class.

NXDL Source:

https://github.com/nexusformat/definitions/blob/main/applications/NXraman.nxdl.xml