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Controlling the magnetic anisotropy of ferromagnetic materials plays a key role in magnetic switching devices and spintronic applications. Examples of spin-orbit torque devices with different magnetic anisotropy geometries (in-plane or…
Van der Waals (vdW) ferromagnetic materials are rapidly establishing themselves as effective building blocks for next generation spintronic devices. When layered with non-magnetic vdW materials, such as graphene and/or topological…
It is well known that stacking domains form in moir\'e superlattices due to the competition between the interlayer van der Waals forces and intralayer elastic forces, which can be recognized as polar domains due to the local spontaneous…
The recent discovery of ferromagnetic single-layer CrI3 creates ample opportunities for studying fundamental properties of atomically-thin magnets. By using first-principles calculations and model analysis, we show that a lateral strain…
By utilizing the proximity effect, we introduce a platform that exploits ferroelectric switching to modulate spin currents in graphene proximitized by ferroelectric In$_2$Se$_3$ monolayer. Through first-principles calculations and…
Van der Waals (vdW) heterostructures consisting of bilayer graphene (BLG) encapsulated within monolayers of strong spin-orbit semiconductor WS$_2$ or ferromagnetic semiconductor Cr$_2$Ge$_2$Te$_6$ (CGT), are investigated. By performing…
The interplay between magnetic order and electronic topology in van der Waals materials enables extreme responses to external stimuli. The nodal-line semiconductor Mn3Si2Te6 exemplifies this, exhibiting colossal angular magnetoresistance…
Density functional theory calculations are carried out to study the electronic and topological properties of $M$P$X_3$ ($M$ = Mn, Fe, Co, Ni, and $X$ = S, Se) monolayers in the ferromagnetic (FM) metastable magnetic state. We find that FM…
Charge transfer plays a key role at the interfaces of heterostructures, which can affect electronic structures and ultimately the physical properties of the materials. However, charge transfer is difficult to manipulate externally once the…
2D Ferroelectric materials are promising for designing low-dimensional memory devices. Here, we explore strain tunable ferroelectric properties of group-IV monochalcogenides MX (M=Ge, Sn; X=S, Se) and their potential application in lateral…
Carbon-based bilayer van der Waals (vdW) materials are attracting much attention due to their predicted interesting physical properties. Here, we theoretically investigate electronic and optical properties of C$_3$B/C$_3$N vdW…
Tuning the Gilbert damping of ferromagnetic (FM) metals via a nonvolatile way is of importance to exploit and design next-generation novel spintronic devices. Through systematical first-principles calculations, we study the magnetic…
The exploration of spin configurations and magnetoresistance in van der Waals magnetic semiconductors, particularly in the realm of thin-layer structures, is of paramount significance for the development of two-dimensional spintronic…
We investigate the electronic band structure and the proximity exchange effect in bilayer graphene on a family of ferromagnetic multilayers Cr$_2$X$_2$Te$_6$, X=Ge, Si, and Sn, with first principles methods. In each case the intrinsic…
We present a computational study to explore the potential of different experimental approaches to tune the magnetic interactions in two-dimensional van der Waals magnets. We selected CrGeSe$_3$, CrGeTe$_3$, and Janus Cr$_2$Ge$_2$(Se,Te)$_3$…
In this paper, the electrical and spin properties of mono- and bilayer HfSSe in the presence of a vertical electric field are studied. The density functional theory is used to investigate their properties. Fifteen different stacking orders…
Interfacial ferroelectricity emerges in heterostructures consisting of nonpolar van der Waals (vdW) layers, greatly expanding the scope of two dimensional ferroelectrics. In particular, the unconventional moire ferroelectricity observed in…
Recently, the two-dimensional magnetic semiconductor CrSBr has attracted considerable attention due to its excellent air-stable property and high magnetic critical temperature. Here, we systematically investigate the electronic structure,…
Spin valves are essential components in spintronic memory devices, whose conductance is modulated by controlling spin-polarized electron tunneling through the alignment of the magnetization in ferromagnetic elements. Whereas conventional…
Interfaces between twisted 2D materials host a wealth of physical phenomena originating from the long-scale periodicity associated with the resulting moire structure. Besides twisting, an alternative route to create structures with…