AI Agent Workflow Collection

Select appropriate wide-band-gap chalcopyrite absorber materials for thin-film solar cells based on band-gap requirements. Use when designing single-junction or tandem solar cells, comparing Cu-based and Ag-based chalcopyrite compounds, or determining material suitability for specific Eg values.

Apply square well potential models to analyze and classify deep level centers (transition metal impurities, vacancies) with strong core potentials and localized wavefunctions when hydrogenic effective mass approximation is insufficient.

Predicts whether point defects (vacancies and interstitials) in ionic compounds and semiconductors act as donors or acceptors. Use this skill when analyzing defect chemistry, determining the charge character of vacancies or interstitials, or applying the 8-N rule to mixed bonding systems.

Design and configure doping superlattices (n-i-p-i structures) using periodic doping variations in semiconductor materials. Use when constructing superlattices through doping modulation rather than composition changes, particularly when determining lattice constants and miniband characteristics for GaAs, Si, InP, or similar semiconductors.

Model charge transport in perovskite solar cells using drift-diffusion equations. Apply conservation equations, flux equations, and Poisson's equation for perovskite, ETL, and HTL regions. Use when setting up the core physics model for PSC simulations.

Define device layer structure, configure spatial and time meshes, and build device structures with interface grading. Use this skill when setting up the physical geometry and discretization of a simulation device.

Calculate mobility degradation and scattering effects in semiconductors with extended defects including dislocations and defect clusters. Use when analyzing carrier transport in deformed crystals, semiconductors with dislocations, or materials containing defect clusters and associates that interfere with carrier transport.

Select and apply extended transport equations for semiconductor devices with position-dependent material parameters (inhomogeneities). Use this when material properties such as doping, bandgap, or mobility vary based on position within the device structure, where standard transport equations are insufficient.

Calculate Schottky barrier formation when high work function metals contact n-type semiconductors. Use to determine interface electron density, depletion region formation, and assess rectifying contact behavior in metal-semiconductor junctions.

Evaluate Fermi-Dirac, Gauss-Fermi, and Blakemore statistical integrals for carrier density calculations in semiconductor simulations. Use lookup table interpolation with PCHIP for fast, accurate computation. Apply when using non-Boltzmann statistics or modeling disorder in transport layers.