标题： 解锁MnTe中掺杂对反铁磁性的影响 显示英文标题

标题： Unlocking Doping Effects on Altermagnetism in MnTe

摘要： 由特定对称性支配，反铁磁性是一个凝聚态物理中的新兴领域，其特征是在动量空间中具有独特的自旋分裂带，并与补偿磁化一起存在，如同反铁磁体一样。 由于晶体可能具有定制的和意外的缺陷，了解缺陷驱动的对称性破缺如何影响反铁磁体是很重要的，这反过来可以为潜在的应用带来有前景的视角。 在本研究中，考虑到广泛研究的MnTe作为反铁磁体的原型，通过替代掺杂引入缺陷，以创建自旋空间群的大配置空间。 借助密度泛函理论计算、对这个配置空间的对称性分析和模型研究，我们证明了在动量空间中反铁磁带的自旋分裂普遍存在。 这表明了一类更广泛的准反铁磁材料，扩充了理想反铁磁系统的集合。 此外，我们表明，虽然原始的MnTe在面外磁化下不表现出异常霍尔电导率（AHC），但可以通过适当的掺杂来获得有限且多样的AHC。 我们对准反铁磁性和掺杂驱动的定制AHC的预测有可能在这个不断发展的领域中开辟尚未探索的方向。 显示英文摘要

摘要： Governed by specific symmetries, altermagnetism is an emerging field in condensed matter physics, characterized by unique spin-splitting of the bands in the momentum space co-existing with the compensated magnetization as in antiferromagnets. As crystals can have tailored and unintended defects, it is important to gain insights on how altermagnets are affected by the defects-driven symmetry-breaking which, in turn, can build promising perspectives on potential applications. In this study, considering the widely investigated MnTe as a prototype altermagnet, defects are introduced through substitutional doping to create a large configuration space of spin space groups. With the aid of density functional theory calculations, symmetry analysis, and model studies in this configuration space, we demonstrate the generic presence of spin-split of the antiferromagnetic bands in the momentum space. This is indicative of a wider class of quasi-altermagnetic materials, augmenting the set of ideal altermagnetic systems. Furthermore, we show that while pristine MnTe does not show anomalous Hall conductivity (AHC) with out-of-plane magnetization, suitable doping can be carried out to obtain finite and varied AHC. Our predictions of quasi-altermagnetism and doping driven tailored AHC have the potential to open up as-yet-unexplored directions in this developing field.