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It has been predicted theoretically and indirectly confirmed experimentally that single-layer CrX$_3$ (X=Cl, Br, I) might be the prototypes of topological magnetic insulators (TMI). In this work, by using first-principles calculations…
Bulk chromium triiodide (CrI$_3$) has long been known as a layered van der Waals ferromagnet. However, its monolayer form was only recently isolated and confirmed to be a truly two-dimensional (2D) ferromagnet, providing a new platform for…
We compare three distinct computational approaches based on first-principles calculations within density functional theory to explore the magnetic exchange and the Dzyaloshinskii-Moriya interactions (DMI) of a Co monolayer on Pt(111),…
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…
Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a…
The discovery of ferromagnetic order in monolayer 2D crystals has opened a new venue in the field of two dimensional (2D) materials. 2D magnets are not only interesting on their own, but their integration in van der Waals heterostructures…
Magnetism in two-dimensional materials reveals phenomena distinct from bulk magnetic crystals, with sensitivity to charge doping and electric fields in monolayer and bilayer van der Waals magnet CrI3. Within the class of layered magnets,…
Magnetic anisotropy is crucially important for the stabilization of two-dimensional (2D) magnetism, which is rare in nature but highly desirable in spintronics and for advancing fundamental knowledge. Recent works on CrI$_3$ and CrGeTe$_3$…
An unexplored physical mechanism which produces a magnetoelectric effect in ferroelectric/ferromagnetic multilayers is studied based on first-principles calculations. Its origin is a change in bonding at the ferroelectric/ferromagnet…
The atomic thickness of two-dimensional (2D) materials provides a unique opportunity to control material properties and engineer new functionalities by electrostatic doping. Electrostatic doping has been demonstrated to tune the electrical…
Intrinsic magnetoelectric coupling describes the interaction between magnetic and electric polarization through an inherent microscopic mechanism in a single phase material. This phenomenon has the potential to control the magnetic state of…
The many-body fixed-node and fixed-phase spin-orbit Diffusion Monte Carlo (DMC) methods are applied to accurately predict the fundamental gap of monolayer CrI$_3$ - the first experimentally-realized 2D material with intrinsic magnetism. The…
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.…
A monolayer of CrI3 has an amazing ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI3 nanoribbons with density functional theory. The edge iodine atoms form…
Recent experiments revealed that monolayer $\alpha$-RuCl$_3$ can be obtain by chemical exfoliation method and exfoliation or restacking of nanosheets can manipulate the magnetic properties of the materials. In this present paper, the…
CrI$_{3}$ is considered to be a promising candidate for spintronic devices and data storage. We derived the Heisenberg Hamiltonian for CrI$_{3}$ from density functional calculations using the Liechtenstein formula. Moreover, the…
The family of atomically thin magnets holds great promise for a number of prospective applications in magneto-optoelectronics, with CrI$_3$ arguably being its most prototypical member. However, the formation of defects in this system…
We investigate the magnetoelectric properties of the monolayer NiX$_{2}$ (X = Br, I) through first-principles calculations. Our calculations predict that the NiBr$_{2}$ monolayer exhibits a cycloidal magnetic ground state. For the NiI$_{2}$…
Recently intrinsic ferromagnetism in two-dimensional(2D) van der Waals materials was discovered [1, 2, 3]. A monolayer of Chromiun triiodide(CrI3) is ferromagnetic while a bilayer structure was reported to be anti-ferro magnetic, moreover…
Magnetic anisotropy in complex oxides often originates from the complex interplay of several factors, including crystal structure, spin-orbit coupling, and electronic interactions. Recent studies on Ru-substituted $La_{0.70}Sr_{0.30}MnO_3$…