论文标题
密度功能方法与摩尔态相关：巡回磁性
Density functional approach to correlated moire states: itinerant magnetism
论文作者
论文摘要
二维Moire超级晶格最近成为了以前所未有的控制创建物质的新型电子相的肥沃场所。尽管进行了密集的努力，但相关的Moire系统的理论研究受到了超晶格单元中大量原子的挑战，以及处理电子相关性的固有难度。相关的Moire系统的物理学受粗粒长波长潜力中低能量电子的控制，这与天然固体中原子间距的奇异库仑电位不同。由Moire和原子长度尺度之间的分离激励，在这项工作中，我们应用密度功能理论直接研究周期性Moire潜力中相互作用电子的连续模型。使用这种定量准确的方法，我们预测过渡金属二甲藻元化杂质杂质中的巡回旋转 - 瓦利铁磁性，该方法源自二维电子系统中Moire势与库仑相互作用之间的建设性相互作用。
Two-dimensional moire superlattices have recently emerged as a fertile ground for creating novel electronic phases of matter with unprecedented control. Despite intensive efforts, theoretical investigation of correlated moire systems has been challenged by the large number of atoms in a superlattice unit cell and the inherent difficulty of treating electron correlation. The physics of correlated moire systems is governed by low-energy electrons in a coarse-grained long-wavelength potential, unlike the singular Coulomb potential of atomically-spaced ions in natural solids. Motivated by the separation between moire and atomic length scales, in this work we apply density functional theory to study directly the continuum model of interacting electrons in the periodic moire potential. Using this quantitatively accurate method, we predict itinerant spin-valley ferromagnetism in transition metal dichalchogenide heterobilayers, which originates from the constructive interplay between moire potential and Coulomb interaction in a two-dimensional electron system.
