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首页> 外文期刊>Physical review >Controlling doping in graphene through a SiC substrate: A first-principles study
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Controlling doping in graphene through a SiC substrate: A first-principles study

机译：通过SiC衬底控制石墨烯中的掺杂：第一性原理研究

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Controlling the type and density of charge carriers by doping is the key step for developing graphene electronics. However, direct doping of graphene is rather a challenge. Based on first-principles calculations, a concept of overcoming doping difficulty in graphene via substrate is reported. We find that doping could be strongly enhanced in epitaxial graphene grown on silicon carbide substrate. Compared to free-standing graphene, the formation energies of the dopants can decrease by as much as 8 eV. The type and density of the charge carriers of epitaxial graphene layer can be effectively manipulated by suitable dopants and surface passivation. More importantly, contrasting to the direct doping of graphene, the charge carriers in epitaxial graphene layer are weakly scattered by dopants due to the spatial separation between dopants and the conducting channel. Finally, we show that a similar idea can also be used to control magnetic properties, for example, induce a half-metallic state in the epitaxial graphene without magnetic impurity doping.
机译：通过掺杂控制电荷载流子的类型和密度是开发石墨烯电子产品的关键步骤。但是，直接掺杂石墨烯是一个挑战。基于第一性原理计算，提出了一种通过衬底克服石墨烯中掺杂困难的概念。我们发现在碳化硅衬底上生长的外延石墨烯可以大大增强掺杂。与自立式石墨烯相比，掺杂剂的形成能最多可降低8 eV。外延石墨烯层的电荷载流子的类型和密度可以通过适当的掺杂剂和表面钝化来有效地控制。更重要的是，与直接掺杂石墨烯相反，由于掺杂剂和导电沟道之间的空间分隔，外延石墨烯层中的电荷载流子被掺杂剂弱散射。最后，我们证明了类似的想法也可以用于控制磁性能，例如，在外延石墨烯中诱导半金属态而无需掺杂磁性杂质。

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