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Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization

机译:通过分子化学官能化工程化杂化有机-铁磁界面的磁性

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We have performed systematic first-principles calculations to tailor the magnetic properties at a hybrid organic-ferromagnetic interface by adsorbing organic molecules containing π(p_z) electrons onto a magnetic substrate. For such hybrid systems, magnetic properties such as molecular magnetic moments and their spatial orientation can be specifically tuned by substituting the H atoms with more electronegative atoms such as Cl and F. This chemical functionalization process surprisingly reveals the importance of the spin-orbit coupling present at the magnetic surface-molecule interface. As a key result, our simulations indicate a direct connection between substituent electronegativity and these magnetic properties which can be exploited to design more efficient organic spintronic devices.
机译:我们已经进行了系统的第一性原理计算,以通过将包含π(p_z)电子的有机分子吸附到磁性基质上来定制混合有机-铁磁界面处的磁性。对于此类混合系统,可以通过用更多的负电性原子(例如Cl和F)取代H原子来具体调整分子分子的磁特性及其空间取向等磁性。这一化学功能化过程令人惊讶地揭示了自旋轨道耦合的重要性在磁性表面分子界面。作为关键结果,我们的模拟表明取代基电负性与这些磁性之间的直接联系,可以用来设计更有效的有机自旋电子器件。

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