Calculate effective charge (e*) and determine ionicity in III-V, II-VI, and Group IV semiconductors based on wavefunction coefficients. Use when analyzing charge distribution in mixed bonding systems or calculating static vs dynamic effective charges.

ShaneLogic1

Computación Científica

Microcrystalline Defect Identification

Identify and classify structural defects in semiconducting glasses and amorphous materials, specifically microcrystallite boundaries and small voids. Use when precrystallization occurs, large number rings form, or imperfect growth techniques have been employed.

ShaneLogic1

Química Computacional

Fermi Energy And Electron Density Calculation

Calculate electron density, Fermi potential, and effective density of states in semiconductors using Boltzmann approximation. Use when analyzing space-charge regions, determining carrier concentrations, or relating Fermi level position to band structure in thermal equilibrium.

ShaneLogic1

Herramientas de Laboratorio

Recrystallization Purification Methods

Apply thermal and chemical methods to improve crystal quality and purity of polycrystalline semiconductors. Use when working with impure deposits, needing to convert polycrystalline material to higher-quality crystals, or when device performance requires improved crystallinity.

ShaneLogic1

Química Computacional

Hydrogen Dilution Phase Transition

Apply high hydrogen dilution to optimize silicon film stability and control phase transitions from amorphous to nanocrystalline structure. Use when optimizing stability against light-induced degradation or when growing nanocrystalline silicon (nc-Si) films for photovoltaic applications.

ShaneLogic1

Computación Científica

Dielectric Properties Analysis

Analyze dielectric material properties including polarization, susceptibility, complex conductivity, and anisotropic tensor representations. Use this skill when modeling material response to electric fields, working with frequency-domain analysis of dielectrics, or handling anisotropic crystalline materials.

ShaneLogic1

Computación Científica

Carrier Transport Mechanics

Analyze and calculate carrier transport properties in semiconductors including thermal velocity, drift velocity, conductivity, and mobility. Use this when analyzing carrier motion, current flow, or transport parameters under thermal equilibrium or with applied electric fields.

ShaneLogic1

Química Computacional

Capture Cross Section Deep Centers

Calculate capture cross-section pre-exponential factors for deep centers in semiconductors, including thermal activation corrections. Use when analyzing carrier capture by deep traps where thermal energy effects are significant.

ShaneLogic1

Computación Científica

Chalcogen Impurities Silicon

Analyze energy levels, state splitting, and pair formation properties of Group VI elements (O, S, Se, Te) in silicon. Use when calculating donor energy levels for chalcogen impurities, analyzing deep centers, or investigating chalcogen pair behavior and symmetry.

ShaneLogic1

Depuración

Kg Material

Use when: copper halide candidate generation, Neo4j retrieval, charge-balance validation, LangGraph planner/retriever/reasoner/critic workflow.

elsieyang02041

Química Computacional

Auger Recombination Analysis

Calculate Auger recombination rates and carrier lifetimes in semiconductors. Use this skill when analyzing high carrier density scenarios (e.g., heavily doped materials, high injection conditions), narrow gap semiconductors (Eg < 0.35 eV), or when determining dominant recombination mechanisms at elevated carrier concentrations.

ShaneLogic1

Computación Científica

Amorphous Silicon Voc Bandgap Relationship

Calculate the theoretical open-circuit voltage limit for amorphous silicon and nanocrystalline silicon solar cells based on bandgap energy and material-specific voltage deficit factors. Use this when estimating maximum Voc potential or comparing different materials.

ShaneLogic1

Bioinformática

Amorphous Silicon Characterization

Determine optical band gap and band tail characteristics in amorphous silicon and its alloys using Tauc plot, E04 method, and mobility edge analysis. Use when characterizing a-Si:H materials, analyzing Urbach tails, or determining electronic structure parameters for amorphous semiconductor devices.

ShaneLogic1

Química Computacional

Analyze Abrupt Step Junctions

Use this skill when analyzing the electrical behavior of one-carrier abrupt step-junctions, such as nn+-junctions or semiconductor barriers. It applies when you need to model the physics of these junctions using governing transport and Poisson equations to determine electron density, electric field, and potential distributions.

ShaneLogic1

Machine Learning

Advanced Transport Modeling

Configure and apply advanced transport model features including quasi-Fermi level input handling and steric effects in ion transport. Use when modeling high ion vacancy densities, enabling non-Boltzmann statistics, or setting flexible doping parameters for transport layers.

ShaneLogic1

Astronomía y Física

A Si H Alloying Band Gap Tuning

Tune the optical band gap of hydrogenated amorphous silicon (a-Si:H) through alloying with germanium, carbon, oxygen, or nitrogen. Use this skill when designing solar cell layers that require specific band gap values, such as high-bandgap p-layers or optimized absorption i-layers, or when adjusting the spectral response of a-Si:H-based photovoltaic devices.

ShaneLogic1

Química Computacional

Anisotropic Mobility Calculation

Calculate direction-dependent mobility in anisotropic semiconductors (Ge, Si) accounting for band structure anisotropy and ionized impurity scattering effects. Use when working with multi-valley semiconductors with ellipsoidal constant energy surfaces or when anisotropy corrections to standard ionized impurity scattering models are required.

ShaneLogic1

Computación Científica

Pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

jswortz1

Computación Científica

Pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

masx2001

Computación Científica

Pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

Mishit181

Química Computacional

Carrier Transport Scattering Analysis

Analyze carrier transport behavior in semiconductors including gas-kinetic scattering models, momentum relaxation, and energy relaxation. Use when calculating mobility, mean free path, scattering times, or understanding how carriers lose momentum and energy to the lattice.

ShaneLogic1

Machine Learning

Scientific Materials Characterization

薄膜・材料キャラクタリゼーション解析のスキル。Thornton-Anders 構造ゾーンモデル（SZM）、 XRD 結晶子サイズ解析（Scherrer 方程式）、Williamson-Hall プロット、多技法融合データ解析、 PSP フレームワーク設計を行う際に使用。Scientific Skills Exp-13 で確立したパターン。

nahisaho1

Computación Científica

Semiconductor Physics Fundamentals

Apply fundamental semiconductor physics concepts including Fermi energy positioning, depletion approximation for p-n junctions, and current density relations to analyze device behavior and validate simulation results.

ShaneLogic1

Computación Científica

Semiconductor Terms Index

Look up semiconductor physics terminology and find page references for terms starting with letters S through Z. Use when searching for specific concepts, phenomena, or technical terms in semiconductor physics literature.

ShaneLogic1

Computación Científica

Schottky Barrier Carrier Distribution

Analyze carrier density distributions and operating regimes in Schottky barriers. Use when calculating electron/hole density profiles, identifying DRO or Boltzmann regions, analyzing quasi-Fermi levels, or understanding minority carrier behavior in metal-semiconductor junctions.

ShaneLogic1

Herramientas de Laboratorio

Semimetal Narrow Gap Semiconductor Analysis

Classify and characterize materials with very small band overlap or very small bandgaps (less than ~0.5 eV). Use this skill when analyzing semimetals like graphite and bismuth, narrow gap semiconductors like gray tin and lead chalcogenides (PbS, PbSe, PbTe), HgCdTe alloys, or PbSnTe alloys with band inversion properties.

ShaneLogic1

Astronomía y Física

Thin Film Solar Handbook Scope

Understand the scope, coverage areas, and content organization of the Handbook of the Physics of Thin-Film Solar Cells. Use when consulting the handbook for solar cell design or analysis, determining available depth of coverage for specific thin-film technologies (CdS-based, CIGS, amorphous silicon), or researching material science and space charge effects in thin-film photovoltaics.

ShaneLogic1

Computación Científica

Transition Metal Impurity Analysis

Analyze transition metal impurities in covalent crystals (e.g., Si) to determine their charge states, atomic configurations, diffusivity behavior, and compensation effects. Use this skill when evaluating transition metal dopants, analyzing impurity diffusion in semiconductors, or designing compensation strategies for conductivity control.

ShaneLogic1

Computación Científica

Scientific Computational Materials

Computational materials science skill. DFT calculations, molecular dynamics for materials, crystal structure prediction, band structure analysis, and materials property prediction.

nahisaho0

Química Computacional

Scientific Materials Characterization

Materials characterization skill. XRD pattern analysis, SEM/TEM image processing, spectroscopy data analysis (XPS/FTIR/Raman), and materials property database queries.

nahisaho0

Materials Scientists | Skills Pool