AI 中文总结
本研究通过密度泛函理论计算，利用界面效应和量子限域，在氧化物超晶格中设计出兼具金属性的d波反铁磁序，为反铁磁序的自旋电子学应用提供了新平台。
AI 中文摘要
反铁磁序的发现已引发大量研究，并为自旋电子学和输运应用开辟了新途径。当前研究大多集中在通常为绝缘的块体材料上，本文提出设计策略，通过利用对称性破缺、静电掺杂和限域，在氧化物超晶格中实现反铁磁序与金属性的结合。块体SrCrO3因相邻层间的补偿效应不呈现反铁磁序，而本文采用含哈伯德U参数的密度泛函理论计算表明，限域在(SrCrO3)1/(SrTiO3)1(001)超晶格(SL)中的单个SrCrO3层，因轨道有序和八面体旋转(OORs)共存，呈现出高达350 meV的可观非相对论自旋分裂(NRSS)，具有块体d波特性。由于该系统为绝缘，本文扩展至SrCrO3/LaCrO3(001)超晶格，在(SrCrO3)4/(LaCrO3)4(001)超晶格中，界面处的极性不连续性与更强的八面体旋转结合，促进了金属性d波反铁磁序，费米能级处的界面Cr d轨道贡献了高达120 meV的非相对论自旋分裂，并存在自旋选择性费米面嵌套的迹象。这些发现确立了氧化物超晶格作为实现和探索反铁磁序以用于量子输运和自旋电子学功能的有前景平台。
英文摘要
The discovery of altermagnetism has initiated intensive research and opened new avenues for spin- tronic and transport applications. While current efforts are mostly focused on bulk materials which are typically insulating, here we propose design strategies to achieve a combination of altermag- netism and metallicity in oxide superlattices by exploiting symmetry breaking, electrostatic doping and confinement. While bulk SrCrO3 does not exhibit altermagnetism due to compensating effects between adjacent layers our density functional theory calculations with a Hubbard U parameter re- veal, that a single SrCrO3 layer confined in a (SrCrO3)1/(SrTiO3)1(001) superlattice (SL) exhibits a sizable non-relativistic spin splitting (NRSS) up to 350 meV with bulk d-wave nature due to the coexistence of orbital ordering and octahedral rotations (OORs). Since this system is insulating, we extend to SrCrO3/LaCrO3(001) SLs. In the (SrCrO3)4/(LaCrO3)4(001) SL the combination of a polar discontinuity at the interface and stronger OORs promotes metallic d-wave altermagnetism. The NRSS of up to 120 meV is contributed by the interfacial Cr d bands at the Fermi level with indications for a spin-selective Fermi surface nesting. These findings establish oxide superlattices as a promising platform to realize and explore altermagnetism for quantum transport and spintronic functionalities
