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arXiv 1406.4437cond-mat.mtrl-scicond-mat.str-el
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(001)双钙钛矿单分子膜中量子反常Hall相的位间自旋轨道耦合

Quantum anomalous Hall phase in (001) double-perovskite monolayers via intersite spin-orbit coupling

Hongbin Zhang, Huaqing Huang, Kristjan Haule, David Vanderbilt

摘要:

利用紧束缚模型和第一性原理计算,我们证明了在二维正方晶格上实现量子反常霍尔(QAH)相的可能性,这种可能性可以在双钙钛矿单层中实现。我们发现,有效的格点间自旋轨道之间的耦合,可以诱导微扰,从而产生一个QAH状态。此外,通过八面体旋转可以增强有效的自旋-轨道耦合。基于第一性原理计算,我们提出这种QAH态可以在La 2 MnIrO 6单层中实现,理想情况下能隙大小为26 meV.我们观察到,电子结构是敏感的结构扭曲,并加强哈伯德U趋于稳定的非平凡的差距。

英文摘要:

Using tight-binding models and first-principles calculations, we demonstrate the possibility to achieve a quantum anomalous Hall (QAH) phase on a two-dimensional square lattice, which can be realized in monolayers of double perovskites. We show that effective intersite spin-orbit coupling between eg orbitals can be induced perturbatively, giving rise to a QAH state. Moreover, the effective spin-orbit coupling can be enhanced by octahedral rotations. Based on first-principles calculations, we propose that this type of QAH state could be realized in La2MnIrO6 monolayers, with the size of the gap as large as 26 meV in the ideal case. We observe that the electronic structure is sensitive to structural distortions, and that an enhanced Hubbard U tends to stabilize the nontrivial gap.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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