遇见数据集

Data and scripts for 2D Orbital Altermagnetism

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Zenodo2025-11-02 更新2026-05-29 收录
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This repository contains the input and output files, Wannier90 settings, and post-processing scripts used in the first-principles and tight-binding calculations presented in the paper “Orbitl Altermagnetism” The dataset includes: CrO, CuBr₂, MoO, and VS₂ folders — each containing VASP input/output files (POSCAR, INCAR, KPOINTS, POTCAR, CHG, CHGCAR) and the corresponding wannier90.win files defining the projection orbitals used for Wannierization. nonlinear_response folder — contains the Julia module amo.jl, which extends the HopTB package to compute intrinsic nonlinear spin and orbital magnetization responses. Example scripts and input files for MoO are provided to demonstrate the workflow. These files allow full reproducibility of the band-structure calculations and the nonlinear current-induced orbital/spin magnetization results discussed in the paper.All Hamiltonians are symmetrized before evaluation, and both Fermi-surface and Fermi-sea contributions are provided. For more details, please refer to the README files within each directory.

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Zenodo
创建时间:
2025-11-02
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