配体空穴驱动的反常磁体α-MnTe(0001)表面的磁重构
Magnetic reconstruction of the altermagnet α-MnTe(0001) surface driven by ligand holes
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中文总结 AI 辅助
该研究通过第一性原理发现α-MnTe(0001)表面会重构出铁磁性Mn双层，配体空穴介导交换驱动反转，其等能面与光电子谱一致，薄膜输运和光谱对该表面磁序敏感。
中文摘要 AI 辅助
我们通过第一性原理计算表明，反常磁体α-MnTe在(0001)表面会发生磁序重构，形成具有铁磁性最外层Mn双层的堆叠结构，其能量低于体相延续的结构。清洁终止会在Te的悬挂键中留下一个配体空穴，驱动这种反转的是该空穴中到达Te的部分，它介导了该Mn双层内的交换作用。计算得到的等能面与光电子能谱图一致，因此薄膜的输运和光谱对非体相的表面磁序敏感。
英文摘要
We show from first principles that the altermagnet α-MnTe reconstructs its magnetic order at the Te-terminated (0001) surface. The ground state has a ferromagnetic outermost Mn bilayer in place of the bulk-continued stacking. The driver is the holes that the surface leaves on the Te mediating the exchange within that bilayer. The computed constant-energy contours agree with photoemission maps of the surface metal. Filling the holes restores the bulk order: the carrier density can control the strength of the surface coupling and, by reversing its sign, the surface magnetic order itself.
