Related papers: Interlayer superexchange in bilayer chromium triha…
We build a microscopic model to study the intra- and inter-layer superexchange due to electrons hopping in chromium trihalides ($\mathrm{CrX}_3$, X= Cl, Br, and I). In evaluating the superexchange, we identify the relevant intermediate…
Bilayer CrI$_3$ attracted much attention owing to peculiar switching between the layered ferromagnetic and antiferromagnetic order upon stacking alternation. This finding pointed out the importance of the apparently small interlayer…
We present a comprehensive theory of the magnetic phases in twisted bilayer Cr-trihalides through a combination of first-principles calculations and atomistic simulations. We show that the stacking-dependent interlayer exchange leads to an…
We analyze magnetic properties of monolayers and bilayers of chromium trihalides, CrI$_3$, in two different stacking configurations: AA and rhombohedral ones. Our main focus is on the corresponding Curie temperatures, hysteresis curves,…
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 ability to control magnetic interactions at the nanoscale is crucial for the development of next-generation spintronic devices and functional magnetic materials. In this work, we investigate theoretically, by means of many-body…
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 present a general theoretical formulation to describe the interlayer interaction in incommensurate bilayer systems with arbitrary crystal structures. By starting from the tight- binding model with the distance-dependent transfer…
Moir\'e patterns in magnetic bilayers generate spatially modulated interlayer exchange interactions that can give rise to nonuniform magnetic textures. We study a minimal classical bilayer Ising model with a moir\'e-modulated interlayer…
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.…
We determine the Dzyaloshinskii-Moriya interaction within and between two magnetic cobalt layers separated by a non-magnetic spacer through ab initio calculations. We investigate different materials for the non-magnetic layer, focusing on…
Commensurable twisted bilayers can drastically change the magnetic properties of chromium trihalide layered compounds, which opens novel opportunities for tuning magnetic states through layer rotations. Here, we introduce a mathematical…
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…
Interfacial Dzyaloshinkii-Moriya interaction defines a rotational sense for the magnetization of two-dimensional films making it responsible for the formation of chiral magnetic structures like spin-spirals and skyrmions in those films.…
We present an advanced first-principles formalism to evaluate the Dzyaloshinskii-Moriya interaction (DMI) in its modern theory as well as Berry curvatures in complex spaces based on a higher-dimensional Wannier interpolation. Our method is…
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$_3$…
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…
Few-layer CrI$_3$ is the most known example among two-dimensional (2D) ferromagnets, which have attracted growing interest in recent years. Despite considerable efforts and progress in understanding the properties of 2D magnets both from…
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…
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…