Strain-Induced Half-Metallicity and Giant Wiedemann-Franz Violation in Monolayer NiI$_2$
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This repository provides the crystallographic information files (CIF) and the custom scripts employed for the post-processing of BoltzTraP2 output data. These resources constitute the computational foundation of the results reported in the manuscript "Strain-Induced Half-Metallicity and Giant Wiedemann-Franz Violation in Monolayer NiI$_2$".Physical Chemistry Chemical Physics, 2025, DOI: 10.1039/D5CP02307F
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Zenodo创建时间：
2025-09-08
