Data, benchmarks and code for: Two Raman phonons and transistor thresholds quantify the fixed edge charge left by patterning monolayer transition metal dichalcogenides

Data, benchmarks and code accompanying the article "Two Raman phonons and transistor thresholds quantify the fixed edge charge left by patterning monolayer transition metal dichalcogenides". Everything needed to check or rebuild every number in the article, without re-running density functional theory, is included. first_principles/ raw PySCF output: the chalcogen-height relaxation, the five-point biaxial strain sweep with band energies at the high-symmetry points, the symmetric frozen-phonon energies for the E' mode, the relaxed-geometry z scans for the A1' mode, the cutoff, k-mesh and vacuum convergence study, and the 6x6x1 k-mesh cross-check. The soc/ subfolder adds the fully relativistic ABINIT spin-orbit cross-check (scalar and spinor runs of the same fully relativistic pseudopotentials for MoS2 and WSe2) with its reduced spin-orbit deltas. benchmarks/ every published measurement used in the article, as flat CSV with its source stated in the header: tip-enhanced Raman shifts at nanoribbon edges, disorder-activated Raman ratios and mobilities of deposited films, nanoribbon on-currents, measured mode Grüneisen parameters, A-exciton gauge factors, damage-halo widths, the Raman calibration constant, the threshold voltages of nanoribbon transistors against width (digitised) the threshold values quoted by three further device studies, and the defect densities counted by lateral force microscopy that set the reference film. results/ the machine-readable results file from which every number, table and figure in the article is generated, the generated LaTeX macro file, and the cached intermediate results of the self-consistent electrostatic inversion of the threshold data (exact_cache.json) and of the line-capacitance correction (fringe_cache.json). figures/ the figures as published. code/ the complete analysis code. The development repository is at https://github.com/Tanvir-Mahmud-Mahim/Width-scaling-in-monolayer-semiconductor-nanoribbon-transistors Version 8 accompanies the first revision of the article. It adds the self-consistent electrostatic inversion of published nanoribbon threshold voltages, the line-capacitance correction for thick gate oxides, per-material contact resistances, the threshold-voltage data sets and the regenerated figures. Relative to version 7 it completes a second check of every cited source: the reference Raman frequencies now follow the cited tables (Michail et al. 2024, Mignuzzi et al. 2015, Berkdemir et al. 2013, Tonndorf et al. 2013, and the calculated WSe2 values of Terrones et al. 2014); the reference defect density and two growth-method lines of Figure 5(b) are now traced to Yang et al. (2026), whose densities are deposited; every benchmark file names its source; and an unused linewidth routine was removed.