Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization
Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization
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DOI：
10.1103/physrevb.84.172402
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发表时间：
2011-11-10
影响因子：
3.7
通讯作者：
Bluegel, Stefan
中科院分区：
文献类型：
--
作者：
Atodiresei, Nicolae;Caciuc, Vasile;Bluegel, Stefan
我们已经进行了系统的第一性原理计算，以定制的混合有机铁磁界面的磁性通过吸附有机分子含有p（pz）电子到磁性基板上。对于这样的混合系统，可以通过用更具电负性的原子如Cl和F取代H原子来特定地调节磁性，如分子磁矩及其空间取向。这种化学功能化过程令人惊讶地揭示了存在于磁性表面-分子界面处的自旋-轨道耦合的重要性。作为一个关键的结果，我们的模拟表明取代基电负性和这些磁性之间的直接联系，可以利用设计更有效的有机自旋电子器件。
We have performed systematic first-principles calculations to tailor the magnetic properties at a hybrid organic-ferromagnetic interface by adsorbing organic molecules containing p(pz) 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.