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arXiv 2602.01940cond-mat.mtrl-sci
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在Bi₂Se₃(0001)拓扑绝缘体表面构建Fe-DCA金属有机框架

Fe-DCA Metal-Organic Frameworks on the Bi2Se3(0001) Topological Insulator Surface

CEITEC - Central European Institute of Technology, Brno University of Technology(中欧技术研究所,布尔诺理工大学);University of Pardubice(帕尔迪比采大学);Institute of Physical Engineering, Brno University of Technology(物理工程学院,布尔诺理工大学)

Anna Kurowská, Jakub Planer, Pavel Procházka, Veronika Stará, Elena Vaníčková, Zdeněk Endstrasser, Matthias Blatnik, Čestmír Drašar, Jan Čechal

AI总结:

在Bi₂Se₃(0001)表面通过自组装构建Fe-DCA二维MOFs,揭示其结构特征与拓扑绝缘体界面电子与磁性调控机制。

摘要:

在拓扑绝缘体(TI)的惰性表面上形成二维金属有机框架(MOFs)是工程具有异常性质的量子材料的一种途径。具有铁磁耦合金属原子的MOFs理论上被预测能够诱导TI表面能带结构中的交换间隙,可能产生量子反常霍尔效应。然而,实现有序MOFs在TI表面的自组装仍极具挑战性,因为对这些基底上的自组装机制了解有限。本文展示了在Bi₂Se₃(0001)表面室温下Fe原子和二氰基蒽醌(DCA)分子自组装形成二维MOFs的过程,通过低能电子显微镜和衍射(LEEM/LEED)、扫描隧道显微镜(STM)以及基于密度泛函理论(DFT)的从头计算进行研究。两种竞争性的Fe-DCA相形成。第一种相对应于紧密排列的Fe₁DCA₃结构。相比之下,第二种相具有更大的单位晶胞,不匹配已知或DFT计算的系统,表明更复杂的键合环境。这些发现推进了对MOFs在强拓扑绝缘体表面生长的理解,并为设计具有定制电子和磁性特性的MOFs/TI界面提供了见解。

英文摘要:

The formation of two-dimensional metal-organic frameworks (MOFs) on an inert surface of a topological insulator (TI) is a pathway to engineer quantum materials with exotic properties. MOFs featuring ferromagnetically coupled metal atoms are theoretically predicted to induce an exchange gap in the TI surface band structure, potentially leading to a quantum anomalous Hall effect. However, achieving ordered MOFs on TI surfaces remains challenging due to the limited knowledge of self-assembly on these substrates. In this paper, we demonstrate self-assembly of Fe atoms and dicyanoanthracene (DCA) molecules into 2D MOFs on the Bi2Se3(0001) surface at room temperature, investigated via a combination of low-energy electron microscopy and diffraction (LEEM/LEED), scanning tunneling microscopy (STM), and ab initio calculations based on density functional theory (DFT). Two competing Fe-DCA phases form. The first phase corresponds to a close-packed Fe1DCA3 structure. In contrast, the second phase exhibits a larger unit cell with no match to either known or DFT-calculated systems, indicating a more complex bonding environment. These findings advance the understanding of the growth of MOFs on a strong topological insulator surface and provide insights for designing MOFs/TI interfaces with tailored electronic and magnetic properties.

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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