论文标题
石墨烯中缺陷诱导现象的QFT计算的数值软件包
Numerical package for QFT calculations of defect-induced phenomena in graphene
论文作者
论文摘要
我们基于路径积分形式主义引入了一种计算有效的方法，以描述缺陷修饰的石墨烯。通过考虑整个Brillouin区域，我们的方法尊重晶格对称性，可用于研究短程和远距离效应。提出的方法的主要优势是，计算复杂性不会随系统的大小而增加，而是随着缺陷的数量而增加。为了证明我们的方法，我们探索了石墨烯介导的多种磁杂质之间的rkky相互作用。我们的结果与较早的发现同意，表明相互作用强度和符号取决于各种因素，例如杂质分离，sublattice排列和系统掺杂。我们证明，可以通过控制其相对位置来在杂质旋转之间引入挫败感，并且可以通过调整系统的化学电位来打开和关闭这种挫败感。
We introduce a computationally efficient method based on the path integral formalism to describe defect-modified graphene. By taking into account the entire Brillouin zone, our approach respects the lattice symmetry and can be used to investigate both short-range and long-range effects. The proposed method's key advantage is that the computational complexity does not increase with the system size, scaling, instead, with the number of defects. As a demonstration of our method, we explore the graphene-mediated RKKY interaction between multiple magnetic impurities. Our results concur with earlier findings by showing that the interaction strength and sign depend on various factors like impurity separation, sublattice arrangement, and system doping. We demonstrate that frustration can be introduced between the impurity spins by controlling their relative positions and that this frustration can be switched on and off by tuning the chemical potential of the system.
