相关论文: Electrically tunable stacking domains and ferroele…
Using the self-consistent Landau-Ginzburg-Devonshire approach we simulate and analyze the spontaneous formation of the domain structure in thin ferroelectric films covered with the surface screening charge of the specific nature…
We explore computationally the formation of tri-layer superlattices as an alternative approach for combining ferroelectricity with magnetism to form magnetoelectric multiferroics. We find that the contribution to the superlattice…
Nanostructured ferroelectrics display exotic multidomain configurations resulting from the electrostatic and elastic boundary conditions they are subject to. While the ferroelectric domains appear frozen in experimental images, atomistic…
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…
We present a systematic approach to modeling the electrical and structural properties of charge-mismatched superlattices from first principles. Our strategy is based on bulk calculations of the parent compounds, which we perform as a…
Stability and electronic properties of atomic layers of GaN are investigated in the framework of the van der Waals-density functional theory. We find that the ground state of the layered GaN is a planar graphene-like configuration rather…
Van der Waals "sliding" ferroelectric bilayers, whose electric polarization is locked to the interlayer alignment, show promise for future non-volatile memory and other nanoelectronic devices. These applications require a fuller…
We investigate the interaction between interlayer excitons and ferroelectric domains in hBN-encapsulated 3R-MoS$_2$/MoSe$_2$ heterostructures, combining photoluminescence experiments with density functional theory and many-body Green's…
Two-dimensional (2D) materials that exhibit spontaneous magnetization, polarization or strain (referred to as ferroics) have the potential to revolutionize nanotechnology by enhancing the multifunctionality of nanoscale devices. However,…
The bistability of charge polarization in ferroelectric materials has long been the basis of ferroelectric devices. However, the ferroelectricity tends to be vanishing as the thickness of materials is reduced to a few nanometers or thinner…
Topological polar textures in ferroelectrics have attracted significant interest for their potential for energy-efficient and high-density data storage and processing. Among these, polar merons and antimerons are predicted in strained and…
Since the discovery of the fascinating properties in magic-angle graphene, the exploration of moir\'e systems in other two-dimensional materials has garnered significant attention and given rise to a field known as 'moir\'e physics'. Within…
To minimize their electrostatic energy, insulating ferroelectric films tend to break up into nanoscale ``Kittel'' domains of opposite polarization that are separated by uncharged 180$^\circ$ domain walls. Here, I report on self-consistent…
Here we demonstrate that MnTe epitaxial films with zinc-blend structure and MnTe/ZnTe multilayers should show ferroelectric polarization in antiferromagnetically (AFM) ordered state and thus belong to multiferroics. Spontaneous…
2D van der Waals (vdW) ferromagnets have emerged as promising materials for spintronic applications due to their unique magnetic properties and tunability. Controlling ferromagnetism via external stimuli is critical for both fundamental…
2D Ferroelectricity with switchable electric polarization has drawn widespread attention in condensed matter physics due to its crucial applications in non-volatile memory and ferroelectric spin devices. Despite recent progress in 2D…
In long-wavelength moir\'e patterns of homobilayer semiconductors, the layer pseudospin of electrons is subject to a sizable Zeeman field that is spatially modulated from the interlayer coupling in moir\'e. By interference of this spatial…
Domain walls are the topological defects that mediate polarization reversal in ferroelectrics, and they may exhibit quite different geometric and electronic structures compared to the bulk. Therefore, a detailed atomic-scale understanding…
Twisted magnetic van der Waals (vdW) materials offer a promising route for multiferroic engineering, yet modeling large-scale moir\'e superlattices remains challenging. Leveraging a newly developed SpinGNN++ framework that effectively…
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…