LaAlO3/SrMnO3(111)超晶格中的界面电荷重构
Interface Electronic Reconstruction in LaAlO3/SrMnO3(111) Superlattices
DOI: 10.12677/APP.2017.711040, PDF,    科研立项经费支持
作者: 侯 芳*：苏州科技大学，数理学院，江苏 苏州
关键词: 异质界面；极性不连续性；电子结构重构；半金属；双交换机制；Heterointerface； Polar Discontinuity； Electronic Reconstruction； Half-Metal； Double-Exchange
摘要: 利用第一性原理计算，在LaAlO3/SrMnO3(111)超晶格中实现了由极化电场驱动的电荷转移和半金属性。在(LaO3)/Mn界面处，电子从LaAlO3侧转移到SrMnO33中，占据Mn的eg轨道，从而形成该类超晶格中的半金属铁磁性。而在(SrO3)/La界面处，极化电场使得空穴基本上是均匀分布于SrO3面和LaO3面的氧离子上，于是造成SrMnO3中的G类反铁磁序。不过由于空穴的掺入，此类超晶格是金属性的。
Abstract: Based on extensive first-principle density functional calculations, we have revealed the charge transfer and half-metallic ferromagnetism induced by the polar electronic field in LaAlO3/SrMnO3 (111) superlattices. At the (LaO3)/Mn interface, electrons transfer from LaAlO33 side to SrMnO3 component and occupy eg orbital of Mn ions, inducing half-metallic ferromagnetism of this kind of superlattice. On the other hand, for the superlattices with (SrO3)/La interface, the holes reside almost uniformly at the oxygen atoms of SrO3 and LaO3 atomic planes. With absence of the eg states at the Mn sites, bulk-like G-type AFM ordering were obvious. But this type superlattices are metallic because of hole transfer.
文章引用：侯芳. LaAlO3/SrMnO3(111)超晶格中的界面电荷重构[J]. 应用物理, 2017, 7(11): 320-327. https://doi.org/10.12677/APP.2017.711040

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