Electric Polarization-Driven Modulation of Fe Adatoms on Ferroelectric α-In2Se3
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This repository contains VASP input and output files used in the study ‘Electric Polarization-Driven Modulation of Fe Adatoms on Ferroelectric α-In₂Se₃.’ The dataset includes relaxed structures and total energy, density of states, and magnetic anisotropy calculations. These files support the reproducibility of the density functional theory results presented in the manuscript.
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Zenodo创建时间：
2025-12-01
