Related papers: Designing dislocation-driven polar vortex networks…
Twisted transition metal dichalcogenide (TMD) bilayers exhibit periodic moir\'e potentials, which can trap excitons at certain high-symmetry sites. At small twist angles, TMD lattices undergo an atomic reconstruction, altering the moir\'e…
Model description of patterns of atomic displacements in twisted bilayer systems has been proposed. The model is based on the consideration of several dislocation ensembles, employing a language that is widely used for grain boundaries and…
Moir\'e superlattices in van der Waals (vdW) heterostructures have given rise to a number of emergent electronic phenomena due to the interplay between atomic structure and electron correlations. A lack of a simple way to characterize…
The relative twist angle between layers of near-lattice-matched van der Waals materials is critical for the emergent correlated phenomena associated with moire flat bands. However, the concept of angle rotation control is not exclusive to…
Ab initio calculations are utilized as an input to develop a simple model of polarization in epitaxial short-period CaTiO3/SrTiO3/BaTiO3 superlattices grown on a SrTiO3 substrate. The model is then combined with a genetic algorithm…
In complex transition metal oxide heterostructures of physically dissimilar perovskite compounds, interface phenomena can lead to novel physical properties not observed in either of their constituents. This remarkable feature opens new…
Twistronic van der Waals heterostrutures offer exciting opportunities for engineering optoelectronic properties of nanomaterials. Here, we use multiscale modeling to study trapping of charge carriers and excitons by ferroelectric…
Epitaxial interfaces and superlattices comprised of polar and non-polar perovskite oxides have generated considerable interest because they possess a range of desirable properties for functional devices. In this work, emergent polarization…
Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…
The ability to controllably manipulate the complex topological polar configurations, such as polar flux-closure via external stimuli, enables many applications in electromechanical devices and nanoelectronics including high-density…
Twisted bilayers of two-dimensional semiconductors offer a versatile platform to engineer quantum states for charge carriers using moir\'e superlattice effects. Among the systems of recent interest are twistronic MoSe${}_{2}$/WSe${}_{2}$…
Van der Waals (vdW) polytypes of broken inversion and mirror symmetries were recently shown to exhibit switchable electric polarization even at the ultimate two-layer thin limit. Their out-of-plane polarization was found to accumulate in a…
Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…
Recent research showed that the rotational degree of freedom in stacking 2D materials yields great changes in the electronic properties. Here we focus on an often overlooked question: are twisted geometries stable and what defines their…
Moire superlattices-twisted van der Waals (vdW) structures with small angles-are attracting increasing attention in condensed matter physics, due to important phenomena revealed therein, including unconventional superconductivity,…
Hexagonal boron nitride (hBN) flakes are key building blocks for encapsulating two-dimensional (2D) materials, providing atomically flat surfaces and an excellent dielectric environment for high-mobility field-effect transistors and…
Control of the interlayer twist angle in two-dimensional (2D) van der Waals (vdW) heterostructures enables one to engineer a quasiperiodic moir\'e superlattice of tunable length scale. In twisted bilayer graphene (TBG), the simple moir\'e…
Moir\'e superlattice of twisted hexagonal boron nitride (hBN) has emerged as an advanced atomically thin van der Waals interfacial ferroelectricity platform. Nanoscale periodic ferroelectric moir\'e domains with out-of-plane potentials in…
We used nonequilibrium molecular dynamics simulations to study the shear deformation of metallic composites composed of alternating layers of Cu and Au. Our simulations reveal the formation of "vortices" or "swirls" if the bimaterial…
A promising route to tailoring the electronic properties of quantum materials and devices rests on the idea of orbital engineering in multilayered oxide heterostructures. Here we show that the interplay of interlayer charge imbalance and…