Semiconductor diagnostics and modelling

Objective

The objective of this pilot chain is to demonstrate how semiconductor diagnostics and modelling can be organised as an integrated research infrastructure workflow. The chain connects experimental characterization of semiconductor materials or structures with modelling, interpretation and preparation of reusable research outputs.

The pilot is intended to support researchers working on semiconductor materials, devices, nanostructures, defects, interfaces or functional properties that require a combination of measurement, modelling and structured data documentation.

Workflow description

The workflow starts with the definition of a semiconductor research task, including the material system, structure, device concept or diagnostic question. Experimental characterization may include optical, electrical, structural or surface-related methods, depending on the available facility and scientific problem.

The diagnostic results are then interpreted together with modelling or simulation data. Modelling may support understanding of defect states, transport behaviour, interface effects, band structure, device performance or other relevant properties.

The final stage includes preparation of structured outputs: experimental data, modelling results, interpretation notes, metadata, links to methods and a service-oriented description of the workflow. The resulting package should support reuse, comparison and further development of semiconductor research services.

Expected outputs

The expected outputs include a documented diagnostics-modelling workflow, experimental characterization data, modelling outputs, interpretation notes and metadata for reuse.

The pilot chain should produce:

- a structured description of the semiconductor material, structure or device;

- diagnostic datasets linked to methods and instruments;

- modelling or simulation outputs linked to the research question;

- interpretation notes connecting measurements and models;

- metadata describing sample, method, parameters and outputs;

- a repository-ready or internal FAIR package;

- a reusable service description for the RI catalogue.

The expected outputs include diagnostic datasets, processed measurement results, interpretation notes, metadata records, README documentation, licence and citation information, and a repository-ready FAIR data package for semiconductor materials or device-related research.

Inputs expected from partners

Partners are expected to provide a clearly defined semiconductor research task, including the material system, structure type, diagnostic need and expected modelling or interpretation task.

The minimum input package should include:

- material or device description;

- sample preparation information, if available;

- diagnostic method or measurement type;

- available experimental data or planned measurements;

- target properties or phenomena to be analysed;

- expected modelling or simulation component;

- related publications or reference data;

- contact person responsible for scientific interpretation.

For FAIR preparation, partners should also provide information on data ownership, publication permissions, preferred licence and any restrictions related to unpublished or sensitive device data.

Readiness notes and next actions

The current readiness level is suitable for a structured pilot, especially where existing diagnostic data and modelling expertise are already available.

The main missing elements are a harmonised metadata profile for semiconductor diagnostics, a common template for connecting experimental data with modelling outputs, and a clear procedure for preparing reusable data packages.

Next actions include selecting one representative semiconductor diagnostics case, aligning sample and measurement metadata, preparing a reusable README structure, testing the FAIR checklist for experimental semiconductor data and preparing a repository deposit package through DataverseUA.