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nomad-hzb / hzb-combinatorial-libraries-plugin

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Interpolation and calculation of properties #7

Open Pepe-Marquez opened 2 months ago

Pepe-Marquez commented 2 months ago

There are several scenarios:

  1. Interpolate arrays and raw measurements x | y | pl_wavelength | pl_intensity | absorptance_wavelength | absorptance |
  2. Derive scalar properties and then interpolate x | y | bandgap | pl_max |
    2.1 include scalar properties in Measurement entries
    • Absorptance: bandgap, implied_jsc, absorption_coefficient
    • PL: pl_max, integrated_pl, PLQY
    • Resistivity: resistivity, sheet_resistance
  3. Derivation of properties at measurement setup