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The stability of mixed halide perovskites against phase separation is crucial for their optoelectronic applications, yet difficult to rationalize due to the interplay of enthalpic, configurational, and dynamical effects. Here we present a…
Moir\'e related physics in twisted bilayer two-dimensional (2D) materials has attracted widespread interest in condensed matter physics. Simulation of moir\'e related physics in cold atom platform is expected to outperform the 2D materials…
Layered "mosaic" metal-halide perovskite materials display a wide-variety of microstructures that span the order-disorder spectrum and can be tuned via the composition of their constituent B-site octahedral species. Such materials are…
Honeycomb layered oxides have garnered tremendous research interest in a wide swath of disciplines owing not only to the myriad physicochemical properties they exhibit, but also their rich crystal structural versatility. Herein, a…
Superlattices (SLs) can induce phonon coherence through the periodic layering of two or more materials, enabling tailored thermal transport properties. While most theoretical studies assume atomically sharp, perfect interfaces, real SLs…
Atomically thin moir\'e materials behave like elastic membranes where at very small twist angles, the van der Waals adhesion energy much exceeds the strain energy. In this ``marginal twist" regime, regions with low adhesion energy expand,…
The mechanisms underlying chemifriction, i.e. the contribution of interfacial bonding to friction in defected twisted graphene interfaces are revealed using fully atomistic machine-learning molecular dynamics simulations. This involves…
A major roadblock to scalable quantum computing is phase decoherence and energy relaxation caused by qubits interacting with defect-related two-level systems (TLS). Native oxides present on the surfaces of superconducting metals used in…
The lithium metal-solid-state electrolyte interface plays a critical role in the performance of solid-state batteries. However, operando characterization of the buried interface morphology in solid-state cells is particularly difficult…
Moir\'e superlattices provide a compelling platform for exploring exotic correlated physics. Electronic interference within these systems often results in flat bands with localized electrons, which are typically described by effective…
When modelling discontinuities (interfaces) using the finite element method, the standard approach is to use a conforming finite-element mesh in which the mesh matches the interfaces. However, this approach can prove cumbersome if the…
Antiferromagnets hosting real-space topological spin textures are promising platforms to model fundamental ultrafast phenomena and explore spintronics. However, to date, they have only been fabricated epitaxially on specific…
Presented here is a nanowire model, consisting of coupled elastic membranes with the purpose of investigating thermal transport in quasi-one-dimensional quantum systems. The vibrations of each elastic membrane are quantized and the flow of…
Moir\'e superlattices have emerged as a versatile platform for exploring a wide range of ex- otic quantum phenomena. Unlike angstrom-scale materials, the moir\'e length-scale system contains a large number of atoms, and its electronic…
Stabilizing high-valent redox couples and exotic electronic states necessitate an understanding of the stabilization mechanism. In oxides, whether they are being considered for energy storage or computing, highly oxidized oxide-anion…
Annealing of crystalline multilayers composed of two miscible elements usually causes interfacial mixing of the constituent atoms, possibly leading to the formation of binary alloys at the interfaces. Magnetron sputtered c-Ni/a-Zr…
A simple means of detecting and spatially mapping volatile and nonvolatile conductive filaments in metal/oxide/metal cross-point devices is introduced and its application demonstrated. The technique is based on thermal discolouration of a…
The dynamics of sharp interfaces separating two non-hydrostatically stressed solids is analyzed using the idea that the rate of mass transport across the interface is proportional to the thermodynamic potential difference across the…
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,…
Metal/semiconductor interfaces govern the operation of semiconductor devices through the formation of charge injection barriers that can be controlled by tuning the metal work function. However, the controlling ability is typically limited…