标题： 堆叠和应变在多层石墨烯平均场磁矩中的作用 显示英文标题

标题： The role of stacking and strain in mean-field magnetic moments of multilayer graphene

摘要： 菱面体或ABC堆叠的多层石墨烯在电荷中性下表现出相关的磁基态，使其成为研究强电子关联的最简单系统之一。 我们使用距离依赖的Slater-Koster紧束缚框架中的Hubbard模型来研究多层石墨烯结构中的这种基态。 我们表明，通过使用一个通用的Hubbard-$U$项，我们可以准确地捕捉到混合密度泛函理论计算对六边形（ABA）和菱面体（ABC）堆叠所预测的自旋极化。 使用这个$U$值，我们计算了3-8层ABC和ABA石墨烯多层结构的磁矩。 我们证明，当从不同数量的ABC和ABA多层结构构建异质结构时，这些磁矩的结构和大小是稳健的。 通过应用不同类型的机械畸变，我们研究了在单轴应变和压力下石墨烯系统中的磁性行为。 我们的结果建立了一个计算高效的框架，以研究任意石墨多型堆叠配置下的关联驱动磁性。 显示英文摘要

摘要： Rhombohedral or ABC stacked multilayer graphene hosts a correlated magnetic ground state at charge neutrality, making it one of the simplest systems to investigate strong electronic correlations. We investigate this ground state in multilayer graphene structures using the Hubbard model in a distance dependent Slater-Koster tight binding framework. We show that by using a universal Hubbard-$U$ term, we can accurately capture the spin polarization predicted by hybrid density functional theory calculations for both hexagonal (ABA) and rhombohedral (ABC) stackings. Using this $U$ value, we calculate the magnetic moments of 3-8 layers of ABC and ABA graphene multilayers. We demonstrate that the structure and magnitude of these magnetic moments are robust when heterostructures are built from varying numbers of ABC and ABA multilayers. By applying different types of mechanical distortions, we study the behaviour of the magnetism in graphene systems under uniaxial strain and pressure. Our results establish a computationally efficient framework to investigate correlation-driven magnetism across arbitrary stacking configurations of graphite polytypes.