论文标题
相关引起的底物支持的二维金属有机框架中的磁性
Correlation-induced magnetism in substrate-supported 2D metal-organic frameworks
论文作者
论文摘要
Kagome晶格中的二维（2D）金属有机框架（MOF）可以表现出强烈的电子电子相互作用，这可以导致可调量子相，包括许多外来磁相。虽然2D MOF的技术发展通常利用底物进行生长，支持和电气接触，但研究通常会忽略底物及其对MOF电子特性的巨大影响。在这里，我们展示了底物如何使用系统的密度功能理论和平均场哈伯德计算来改变Kagome MOF中的相关磁相。我们证明，MOF - 基底耦合，MOF - 基底电荷转移，应变和外部电场是关键变量，这些材料中的磁相激活和停用磁相。虽然我们考虑了与铜原子协调的9,10-二烷那烷的分子的示例，但我们的发现应推广到任何kagome晶格。这项工作为表面支持的2D有机材料中可调相互作用诱导的磁性提供了有用的预测，并基于此类系统为固态电子和自旋技术打开了大门。
Two-dimensional (2D) metal-organic frameworks (MOFs) in a kagome lattice can exhibit strong electron-electron interactions, which can lead to tunable quantum phases including many exotic magnetic phases. While technological developments of 2D MOFs typically take advantage of substrates for growth, support, and electrical contacts, investigations often ignore substrates and their dramatic influence on electronic properties of MOFs. Here, we show how substrates alter the correlated magnetic phases in kagome MOFs using systematic density functional theory and mean-field Hubbard calculations. We demonstrate that MOF-substrate coupling, MOF-substrate charge transfer, strain, and external electric fields are key variables, activating and deactivating magnetic phases in these materials. While we consider the example of kagome-arranged 9,10-dicyanoanthracene molecules coordinated with copper atoms, our findings should generalise to any kagome lattice. This work offers useful predictions for tunable interaction-induced magnetism in surface-supported 2D organic materials, opening the door to solid-state electronic and spintronic technologies based on such systems.
