Bulk positron lifetimes in tetrahedrally bonded semiconductors: source-verified dataset, calculated lifetimes and analysis scripts

Companion data and code for the article “Bulk positron lifetimes in tetrahedrally bonded semiconductors: a source-verified dataset and the ionicity residual beyond the bond-length law” (H. Aourag, physica status solidi (b), submitted). Contents:• Source-verified dataset of experimental bulk positron lifetimes for 27 tetrahedrally bonded semiconductors (diamond, zinc blende, wurtzite): primary values per independent group, explicit retention rule, measurement ranges, confidence levels A/B/C, high-frequency and static dielectric constants, primary references and measurement notes, corrected compilation entries, retention-rule sensitivity, Phillips–Van Vechten gaps (Excel file).• Calculated bulk lifetimes for 15 diamond/zinc-blende compounds (atomic superposition, two-component DFT in the zero-positron-density limit) with four enhancement factors (metallic Boroński–Nieminen, semiconductor model of Puska et al., a whole-correction dielectric variant, insulator model) and the GGA (α = 0.22 and 0.10); core and semicore fractions; localization metrics; pressure dependence for GaP, GaAs, ZnSe and ZnTe within phase stability.• Self-consistent check with Quantum ESPRESSO 6.6 for Si, GaAs and ZnSe: input files and post-processing scripts (PSlibrary PAW datasets not redistributed).• Python scripts reproducing all statistics (joint regression, confidence intervals, Monte Carlo, weighted and errors-in-variables fits, leave-one-out cross-validation) and the four figures of the article. Requirements: Python ≥ 3.9 with numpy, scipy, matplotlib, openpyxl. See README.md.