Related papers: Revealing the Underlying Mechanisms of Stacking Or…
We report the connection between the stacking order and magnetic properties of bilayer CrI$_3$ using first-principles calculations. We show that the stacking order defines the magnetic ground state. By changing the interlayer stacking order…
Diverse interlayer tunability of physical properties of two-dimensional layers mostly lies in the covalent-like quasi-bonding that is significant in electronic structures but rather weak for energetics. Such characteristics result in…
Controlling the crystal structure is a powerful approach for manipulating the fundamental properties of solids. Unique to two-dimensional (2D) van der Waals materials, the control can be achieved by modifying the stacking order through…
We performed the detailed microscopic analysis of the inter-layer magnetic couplings for bilayer CrI$_3$. As the first step toward understanding the recent experimental observations and utilizing them for device applications, we estimated…
Chromium trihalides, CrX$_3$ (with X = Cl, Br, I), are a family of layered magnetic materials that can be easily exfoliated to provide ferromagnetic monolayers. When two layers are stacked together to form a bilayer the interlayer exchange…
We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI$_2$) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a…
We address the interplay between stacking and interlayer exchange for ferromagnetically ordered CrI$_3$, both for bilayers and bulk. Whereas bulk CrI$_3$ is ferromagnetic, both magneto-optical and transport experiments show that interlayer…
The manipulation of two-dimensional (2D) magnetic order is of significant importance to facilitate future 2D magnets for low-power and high-speed spintronic devices. Van der Waals stacking engineering makes promises for controllable…
In twisted two-dimensional (2D) magnets, the stacking dependence of the magnetic exchange interaction can lead to regions of ferromagnetic and antiferromagnetic interlayer order, separated by non-collinear, skyrmion-like spin textures.…
Stacking-dependent magnetism in two-dimensional van der Waals materials offers an effective route for controlling magnetic order without chemical modification. Here, we present a combined first-principles and finite-temperature study of…
Motivated by the recent experiment demonstration of stacking dependent interlayer magnetic interaction [T. Song et al., Nat. Mater. 18, 1298 (2019); T. Li et al., Nat. Mater. 18, 1303 (2019); W. Chen et al., Science 366, 983 (2019)], we…
The interlayer magnetic interaction in bilayer CrI$_3$ plays a crucial role for its device applications. In this work, we studied the interlayer magnetic interaction in $\pi/3$-twisted bilayer CrI$_3$ using first-principles calculations.…
Twisted heterostructures of van der Waals materials have received much attention for their many remarkable properties. Here, we present a comprehensive theory of the long-range ordered magnetic phases of twisted bilayer $\alpha$-RuCl$_3$…
The physical properties of two-dimensional van der Waals (2D vdW) crystals depend sensitively on the interlayer coupling, which is intimately connected to the stacking arrangement and the interlayer spacing. For example, simply changing the…
Strategies such as chemical substitution, strain engineering and van der Waals stacking offer powerful means to control magnetism in 2D materials, enabling the emergence of novel quantum phenomena. Here, we investigate the magnetic…
Using first-principles calculations and an atomistic spin model we predict the stabilization of a bilayer triple-Q state in an atomic Mn bilayer on Ir(111) due to interlayer higher-order exchange interactions. Based on density functional…
Recently, two-dimensional (2D) bilayer magnetic systems have been widely studied. Their interlayer magnetic interactions play a vital role in the magnetic properties. In this paper, we theoretically studied the interlayer magnetic…
Stacking order can significantly influence the physical properties of two-dimensional (2D) van der Waals materials. The recent isolation of atomically thin magnetic materials opens the door for control and design of magnetism via stacking…
Single layers of transition-metal thiophosphates (2D-TMPS$_{3}$) van der Waals magnets are an ideal platform for studying antiferromagnetic interactions in two dimensions. However, the magnetic coupling mechanism between two or more…
The emergence of two-dimensional (2D) magnetic crystals and moir\'e engineering has opened the door for devising new magnetic ground states via competing interactions in moir\'e superlattices. Although a suite of interesting phenomena,…