Related papers: Intrinsic magnetism in monolayer transition metal …

Based on first-principles calculations, the evolution of the electronic and magnetic properties of transition metal dihalides MX$_2$ (M= V, Mn, Fe, Co, Ni; X = Cl, Br, I) is analyzed from the bulk to the monolayer limit. A variety of…

We present systematic first-principles results for the electronic and magnetic properties of two-dimensional transition-metal trihalide monolayers MX3 (M = V, Cr, Mn, Fe, Ni, Pd; X = F, Cl, Br, I), focusing on their potential to host the…

Layered transition metal trichalcogenides with the chemical formula $ABX_3$ have attracted recent interest as potential candidates for two-dimensional magnets. Using first-principles calculations within density functional theory, we…

We present a density functional theory study of the carrier-density and strain dependence of magnetic order in two-dimensional (2D) MAX$_3$ (M= V, Cr, Mn, Fe, Co, Ni; A= Si, Ge, Sn, and X= S, Se, Te) transition metal trichalcogenides. Our…

Transition metal dihalides (MX$_2$, M= transition metal, X= halide) have attracted much attention recently due to their intriguing low-dimensional magnetic properties. Particular focus has been placed in this family in the context of…

Two-dimensional (2D) materials with robust magnetism have drawn immense attention for their promising applications in spintronics. Recently, intrinsic ferromagnetic vanadium triiodide (VI3) has been synthesized experimentally. To enhance…

Two-dimensional (2D) van der Waals (vdW) magnetic $3d$-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report…

We present the electronic and magnetic structure calculations of VCl3, VBr3, CrCl3 and CrBr3. The results are obtained by density functional theory with plane wave basis sets. The trihalides generally optimize either in trigonal or…

When combined with transition metals with partially filled $d$-orbitals, magnetism can be incorporated in two-dimensional materials, which greatly expands the scope for fundamental researches and potential applications of these materials.…

Understanding the magnetic ground state of Ruddlesden-Popper nickelates is crucial, as these materials exhibit superconductivity under high pressure and host competing electronic orders that may play a key role in the pairing mechanism. In…

The discovery of monolayer MA$_2$Z$_4$ (M = transition metals; A = IVA elements; Z = VA elements, Science 369, 2020, 670-674) family has led another advance for facilitating and harnessing magnetism in low-dimensional materials. However,…

Materials composed of two dimensional layers bonded to one another through weak van der Waals interactions often exhibit strongly anisotropic behaviors and can be cleaved into very thin specimens and sometimes into monolayer crystals.…

New materials are currently sought for use in spintronics applications. Ferromagnetic materials with half metallic properties are valuable in this respect. Here we present the electronic structure and magnetic properties of binary compounds…

We conduct a comprehensive study of three different magnetic semiconductors, CrI$_3$, CrBr$_3$, and CrCl$_3$, by incorporating both few- and bi-layer samples in van der Waals tunnel junctions. We find that the interlayer magnetic ordering,…

We theoretically investigate the temperature-dependent static susceptibility and long-range magnetic coupling of three-dimensional (3D) chiral gapless electron-hole systems (semimetals) with arbitrary band dispersion [i.e., $\varepsilon(k)…

Binary transition metal nitride with a graphene-like structure and strong magnetic properties is rare. Based on the first-principles calculations, we design two kinds of $M$N$_4$ ($M$ =transition metal) monolayers, which are transition…

The realization of multiferroics in nanostructures, combined with a large electric dipole and ferromagnetic ordering, could lead to new applications, such as high-density multi-state data storage. Although multiferroics have been broadly…

Two-dimensional magnets have received increasing attention since Cr2Ge2Te6 and CrI3 were experimentally exfoliated and measured in 2017. Although layered ferromagnetic metals were demonstrated at room temperature, a layered ferromagnetic…

Two-dimensional (2D) ferromagnets and their heterostructures offer fertile grounds for designing fascinating functionalities in ultra-thin spintronic devices. Here, by first-principles calculations, we report the discovery of energetically…

Achieving multiferroic two-dimensional (2D) materials should enable numerous functionalities in nanoscale devices. Until now, however, predicted 2D multiferroics are very few and with coexisting yet only loosely coupled (type-I)…