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Substrate-induced magnetism in epitaxial graphene buffer layers

机译：外延石墨烯缓冲层中的基底感应磁性

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Magnetism in graphene is of fundamental as well as technological interest, with potential applications in molecular magnets and spintronic devices. While defects and/or adsorbates in freestanding graphene nanoribbons and graphene sheets have been shown to cause itinerant magnetism, controlling the density and distribution of defects and adsorbates is in general difficult. We show from first principles calculations that graphene buffer layers on SiC(0001) can also show intrinsic magnetism. The formation of graphene-substrate chemical bonds disrupts the graphene pi-bonds and causes localization of graphene states near the Fermi level. Exchange interactions between these states lead to itinerant magnetism in the graphene buffer layer. We demonstrate the occurrence of magnetism in graphene buffer layers on both bulk-terminated as well as more realistic adatom-terminated SiC(0001) surfaces. Our calculations show that adatom density has a profound effect on the spin distribution in the graphene buffer layer, thereby provDEing a means of engineering magnetism in epitaxial graphene.
机译：石墨烯中的磁性具有基本和技术意义，在分子磁体和自旋电子器件中具有潜在的应用。尽管已经显示出独立式石墨烯纳米带和石墨烯片中的缺陷和/或吸附物会引起迭代磁性，但是通常很难控制缺陷和吸附物的密度和分布。我们从第一原理计算中得出，SiC（0001）上的石墨烯缓冲层也可以显示出固有的磁性。石墨烯-底物化学键的形成破坏了石墨烯的π键，并导致石墨烯态在费米能级附近的定位。这些状态之间的交换相互作用导致石墨烯缓冲层中的迭代磁性。我们证明了在石墨化缓冲层中，无论是本体端接还是更实际的吸附原子端接的SiC（0001）表面，都存在磁性。我们的计算表明，原子密度对石墨烯缓冲层中的自旋分布有深远的影响，从而为外延石墨烯提供了一种工程磁性的手段。

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