相关论文: Emerging Ferroelectric Domains: Stacking and Rotat…
Manipulating the interlayer twist angle is a powerful tool to tailor the properties of layered two-dimensional crystals. The twist angle has a determinant impact on these systems' atomistic structure and electronic properties. This includes…
Artificially twisted heterostructures of semiconducting transition metal dichalcogenides (TMDs) offer unprecedented control over their electronic and optical properties via the spatial modulation of interlayer interactions and structural…
Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…
Moire patterns result from setting a 2D material such as graphene on another 2D material with a small twist angle or from the lattice mismatch of 2D heterostructures. We present a continuum model for the elastic energy of these bilayer…
Interlayer rotation and stacking were recently demonstrated as effective strategies for tuning physical properties of various two-dimensional materials. The latter strategy was mostly realized in hetero-structures with continuously varied…
Despite progress in HfO2 thin-film ferroelectrics, issues like high coercive fields persist, and the dynamics of twisted ferroelectricity remain largely unexplored. Here, we explore how sliding and twisting in bilayer HfO2 enables low…
Stacking-dependent magnetism in two-dimensional van der Waals materials offers an effective route for controlling magnetic order without chemical modification. Here, we present a combined first-principles and finite-temperature study of…
Since the discovery of superconductive twisted bilayer graphene which initiated the field of twistronics, moir\'e systems have not ceased to exhibit fascinating properties. We demonstrate that in boron nitride twisted bilayers, for a given…
Polar domains and their manipulation-particularly the creation and dynamic control-have garnered significant attention, owing to their rich physics and promising applications in digital memory devices. In this work, using density functional…
Crystal symmetry of two-dimensional (2D) materials plays an important role in their electronic and optical properties. Engineering symmetry in 2D materials has recently emerged as a promising way to achieve novel properties and functions.…
We apply a multiscale modeling approach to study lattice reconstruction in marginally twisted bilayers of transition metal dichalcogenides (TMD). For this, we develop DFT-parametrized interpolation formulae for interlayer adhesion energies…
Two-dimensional(2D) multiferroic materials hold significant promise for advancing the miniaturization and integration of nanodevices. In this study, we demonstrate that 2D bilayer ScI2, which exhibits ferromagnetic(FM) ordering within each…
Spatial control of topology is highly desirable for realizing tunable quantum functionalities in materials. Moir\'e superlattices formed by twisting van der Waals heterostructures provide a natural platform for spatially modulated…
Transition metal dichalcogenide (TMD) moir\'e bilayers have realized a wide range of strongly correlated and topological phenomena. The physics in these materials is often sensitive to the interlayer stacking order. Polarization-resolved…
The recently discovered ferroelectricity of van der Waals bilayers offers an unconventional route to improve the performance of devices. Key parameters such as switching field and speed depend on the static and dynamic properties of domain…
Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…
Sliding ferroelectrics built from stacked nonpolar monolayers enable out-of-plane polarization and unconventional switching via interlayer sliding, yet the microscopic sliding dynamics remain unclear. Using machine-learning molecular…
Understanding the nature of sliding ferroelectricity is of fundamental importance for the discovery and application of two-dimensional ferroelectric materials. In this work, we investigate the phenomenon of switchable polarization in a…
Magnetic MXenes are turning out to be an important family of materials for exploring 2D magnetism. However, investigations into the inter-dependence of layer thickness, stacking patterns and magnetism in these materials, from a microscopic…
It is now well established theoretically and experimentally that a moir\'e pattern, due to a rotation of two atomic layers with respect to each other, creates low-energy flat bands. First discovered in twisted bilayer graphene, these new…