Related papers: Interplay between interlayer exchange and stacking…
Low-dimensional ferroelectricity and polar materials have attracted considerable attentions for their fascinating physics and potential applications. Based on first-principles calculations, here we investigate the stacking modes and polar…
Antiferromagnetism (AF) in AB'-stacked centrosymmetric bilayer (BL) CrI$_3$ breaks both spatial inversion ($P$) and time-reversal ($T$) symmetries but maintains the combined $PT$ symmetry, thus inducing novel second-order nonlinear optical…
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$_3$…
Developing new multiferroics at the two-dimensional (2D) limit with energy-efficient magnetoelectric coupling can inform the interplay physics of novel orders and advance on-chip high-performance computing applications. Here we apply…
We predict topological electron crystals driven by the interplay of interlayer Coulomb attraction and topological miniband physics in bilayer graphene--Mott insulator heterostructures. Charge transfer creates a charge neutral, mass…
We use cluster dynamical mean field theory to study the phase diagram of the square lattice bilayer Hubbard model with an interlayer interaction. The layers are populated by two-component fermions, and the densities in both layers and the…
Two-dimensional intrinsic ferromagnetic half-metal (HM) are important for the spintronics. Manipulating the interlayer magnetic coupling of van der Waals magnetic materials is an important method to control magnetoelectric properties, which…
We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Neel temperature of a layered anti-ferromagnet iron di-chloride…
Layered magnetic materials are becoming a major platform for future spin-based applications. Particularly the air-stable van der Waals compound CrSBr is attracting considerable interest due to its prominent magneto-transport and…
Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…
We perform an extensive exact diagonalization study of interaction driven insulators in spin- and valley-polarized moir\'{e} flat bands of twisted bilayer graphene aligned with its hexagonal boron nitride substrate. In addition to…
Twisting in bilayers introduces structural chirality with two enantiomers, i.e., left- and right-hand bilayers, depending on the oriented twist angle. The interplay between this global chirality and additional degrees of freedom, such as…
We investigate the impact of mechanical strains and a perpendicular electric field on the electronic and magnetic ground-state properties of two-dimensional monolayer CrI$_3$ using density functional theory. We propose a minimal spin model…
SrIrO$_3$ with its large spin-orbit coupling and low charge conductivity has emerged as a potential candidate for efficient spin-orbit torque magnetization control in spintronic devices. We here report on the influence of an interfacial…
Two-dimensional (2D) materials with intrinsic ferromagnetism provide unique opportunity to engineer new functionalities in nano-spintronics. One such material is CrI$_3$, showing long-range magnetic order in monolayer with the Curie…
Using interlayer interaction to control functional heterostructures with atomic-scale designs has become one of the most effective interface-engineering strategies nowadays. Here, we demonstrate the effect of a crystalline LaFeO3 buffer…
Electron bilayers in a strong magnetic field exhibit insulating behavior for a wide range of interlayer separation $d$ for total Landau level fillings $\nu\leq 1/2$, which has been interpreted in terms of a pinned crystal. We study…
The interlayer couplings in commensurate and incommensurate bilayer structures of transition metal dichalcogenides are investigated with perturbative treatment. The interlayer coupling in \pm K valleys can be decomposed into a series of…
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…
We investigated the interlayer coupling effect in homobilayer structures of MSi2X4 with M = Mo/W and X = N/P/As. Through the combination of first-principles calculations and analytical formulations, the equilibrium interlayer distance,…