Related papers: Toward Moir\'e engineering in 2D materials via dis…
The intrinsic magnetism observed in two-dimensional (2D) van der Waals (vdW) materials provides a unique opportunity for exploring the 2D topological magnetic textures, in particular skyrmionic magnetic textures (SMTs) including skyrmion…
Predicting the strength of materials requires considering various length and time scales, striking a balance between accuracy and efficiency. Peierls stress measures material strength by evaluating dislocation resistance to plastic flow,…
Recent experiments have exploited elastic instabilities in membranes to create complex patterns. However, the rational design of such structures poses many challenges, as they are products of nonlinear elastic behavior. We pose a simple…
In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The…
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…
In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of stacks of two-dimensional (2D) materials, have risen to prominence due to their association with exotic quantum phenomena. Atomistic scale relaxation…
A methodology to test the interlayer bonding strength of two-dimensional (2D) surfaces and associated one (1D)- and two (2D)- dimensional surface defects using scanning tunneling microscope tip-induced deformation, is demonstrated. Surface…
The static stress needed to depin a 2D edge dislocation, the lower dynamic stress needed to keep it moving, its velocity and displacement vector profile are calculated from first principles. We use a simplified discrete model whose far…
Two-dimensional (2D) transition-metal dichalcogenides (TMDC) are considered highly promising platforms for next-generation optoelectronic devices. Owing to its atomically thin structure, device performance is strongly impacted by a minute…
We investigate the magnetic proximity effect in van der Waals heterostructure formed by a monolayer semiconductor stacked on a 2D ferromagnet, where the lattice mismatch and twisting between the layers typically lead to the formation of…
A hallmark feature of topologically ordered states of matter is the dependence of ground state degeneracy (GSD) on the topology of the manifold determined by the global shape of the system. Although the topology of a physical system is…
Moir\'e superlattices from stacks of van der Waals materials offer an exciting arena in the fields of condensed matter physics and materials science. Typically, these moir\'e superlattices consist of materials with identical or similar…
Dislocations are line defects in crystalline solids and often exert a significant influence on the mechanical properties of metals. Recently, there has been a growing interest in using dislocations in ceramics to enhance materials…
Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW) interactions. However, accurately modeling their thermal…
Two-dimensional (2D) materials and heterostructures exhibit unique physical properties, necessitating efficient and accurate characterization methods. Leveraging advancements in artificial intelligence, we introduce a deep learning-based…
Moir\'e engineering in atomically thin van der Waals heterostructures creates artificial quantum materials with designer properties. We solve the many-body problem of interacting electrons confined to a moir\'e superlattice potential…
Van der Waals heterostructures promise on-demand designer quantum phases through control of monolayer composition, stacking, twist angle, and external fields. Yet, experimental efforts have been narrowly focused, leaving much of this vast…
The evolution of the physical properties of two-dimensional material from monolayer limit to the bulk reveals unique consequences from dimension confinement and provides a distinct tuning knob for applications. Monolayer 1T'-phase…
Moir\'e patterns formed by stacking atomically-thin van der Waals crystals with a relative twist angle can give rise to dramatic new physical properties. The study of moir\'e materials has so far been limited to structures comprising no…
Van der Waals (vdW) materials offer new ways to assemble artificial electronic media with properties controlled at the design stage, by combining atomically defined layers into interfaces and heterostructures. Their potential for…