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Add specialized CombinatorialSample schema #103

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hampusnasstrom opened this issue Sep 24, 2024 · 0 comments · Fixed by #111

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hampusnasstrom commented Sep 24, 2024

We (@tunold, @RoteKekse) want a specialized schema for thin film CombinatorialSamples with some common scalar properties:

Band gap
Composition
- Formula
- Repeating section of elements with composition
Thickness
Conductivity
\alpha_0 or absorption coefficient
- (full spectrum)
- and value at bandgap
refractive index
PL
- (full spectrum)
- peak position
- FWHM
- peak_area
- absorbed_power_flux
- excitation_wavelength
- PLQY
Solar cell
- Jsc
- FF
- Voc
- Eta
carrier_lifetime
- measurement (tcspc, modulated)
XRD
- Simple: Pattern
List of phases with amounts

General property quantities:

Measure, assumed, interpolated
Model

CombiSampleProperty(ArchiveSection):
    source = Quantity(type=enum, values=['measured', 'assumed', 'interpolated']
    model = ...


BandGapProperty(CombiSampleProperty):
    value = Quantity(type=float, unit='eV')


ThinFilmCombinatorialSample(CombinatorialSample):
    band_gap = SubSection(section_def=BandGapProperty)

hampusnasstrom self-assigned this

hampusnasstrom linked a pull request

that will close this issue

Added ThinFilmCombinatorialSample with properties #111

Merged

RoteKekse closed this as completed in #111

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