IKZ MBE SiGe

[budschi]

In this issue we collect the tasks to complete the schema for IKZ MBE SiGe.

• Metainfo schema:

• [x] general schema based on data revision of Maximilian @aalbino2

• Data revision:

• [x] provide information which data is used from MBE log file ('SUB', 'GCig', 'e-evap2', 'Si_evap')

• [ ] substrate breaking (from wafer) --> new task

• [ ] substrate cutting from ingot and polishing --> new task

• [ ] Materials: MBE sources

• [ ] Instrument: write down instrument description, permanent vs. temporary setup/parts

• [ ] MBE process: add source calibration --> new task

• [ ] AFM: provide a datafile and minimum description --> minimal AFM schema

• [ ] XRD: provide a datafile and minimum description --> minimal XRD schema

[aalbino2]

issues or missing features:

• in the task "substrate preparation" the steps can't be displayed as a table or similar. Do you want to use an excel file to fill these data?

[aalbino2]

we opened the discussion https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/1269

[aalbino2]

I would summarize today the list of TODOs:

• [ ] Calibration_date_sources --> new task class
• [ ] substrate breaking (from wafer) --> new task class
• [ ] substrate cutting from ingot and polishing --> new task class
• [ ] AFM: provide a datafile and minimum description --> minimal AFM schema class
• [ ] XRD: provide a datafile and minimum description --> minimal XRD schema class
• [ ] discuss the nested task structure in the schema I generated
• [ ] spreadsheet visualization https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/1269
• [ ] revise description and units of quantities ('SUB', 'GCig', 'e-evap2', 'Si_evap')
• [ ] Instrument: write down instrument description, permanent vs. temporary setup/parts
• [ ] Materials: MBE sources - check the substrate baseclass

[budschi]

@MaOez

• [ ] please define default values: open a new data file and only save default values in the resprective quantities
• [ ] you can define quantities or plots that can be displayed on the overview page of an entry

[aalbino2]

I'm now filling the schema file in Nomad with the descriptions. Thanks @MaOez for the detailed strings.

Just out of curiosity, are the columns in the recipe file meant to change in different experiments? This question was triggered by this quantity into the GrowthRecipeStep class here:

    e_evap2 = Quantity(
        type=np.dtype(np.float64),
        description='Electron beam evaporator for Germanium')

can also "e_evap2" be an Electron beam evaporator for another element?

If the column are changing in future experiments, we will need to write new classes for each different recipe file you will generate.

We will discuss this whenever in the future you will face a different recipe file.

[aalbino2]

We will discuss better the nature of the timestamp quantity in the GrowthLogStep class here.

Just want to deepen the "can be altered manually" thing. Also, I will show you in detail how we parse timestamp and elapsed_time

[aalbino2]

• [ ] documentation images
• [ ] alias name quantity for substance and substrate

[aalbino2]

• [ ] use the "template" annotation
• [ ] get rid of data.archive.yaml file
• [ ] check SampleCut task with the users

[aalbino2]

• [ ] Exploit the new plugin mechanism to fish automatically .daa files and .asl files to be parsed in the GrowthLog and GrowthRecipe sections

@budschi should we start moving this use case and the hall one in the new plugin fashion?

[budschi]

@aalbino2 yes, please! How do we do this with Hall since there is the NeXus parser involved?

[aalbino2]

we will catch the opportunity to figure out how to do with @domna, it can be a good pilot example for further NeXus integrations.

Still, not super high priority to migrate to plugins, but whenever there's time, let's start

[aalbino2]

check SubstratePreparation class in relation to SubstarteProcess class in MOVPE IKZ plugin