Related papers: Primitive-cell-resolved Crystallography for Moir\'…
The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…
In bilayers of semiconducting transition metal dichalcogenides, the twist angle between layers can be used to introduce a highly regular periodic potential modulation on a length scale that is large compared to the unit cell. In such…
Moir\'e superlattices in twistronic heterostructures are a powerful tool for materials engineering. In marginally twisted (small misalignment angle, $\theta$) bilayers of nearly lattice-matched two-dimensional (2D) crystals moir\'e patterns…
Cells are defined by lipid membranes that differ in their structure across the tree of life. While the membranes of most bacteria and eukaryotes consist of single-headed bilayer lipids, the membranes of archaea are composed of mixtures of…
We consider a \textit{mass-asymmetric} electron and hole bilayer. Electron and hole Coulomb correlations and electron and hole quantum effects are treated on first princles by path integral Monte Carlo methods. For a fixed layer separation…
Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph…
Moir\'e superlattices formed at the interface between stacked two-dimensional atomic crystals offer limitless opportunities to design materials with widely tunable properties and engineer intriguing quantum phases of matter. However,…
The Bethe-Salpeter equation (BSE) is currently the state of the art in the description of neutral electron excitations in both solids and large finite systems. It is capable of accurately treating charge-transfer excitations that present…
Twisted bilayer MoTe$_2$ (tMoTe$_2$) is an emergent platform for exploring exotic quantum phases driven by the interplay between nontrivial band topology and strong electron correlations. Direct experimental access to its momentum-resolved…
A scheme for rapidly and accurately computing solutions to boundary integral equations (BIEs) on rotationally symmetric surfaces in R^3 is presented. The scheme uses the Fourier transform to reduce the original BIE defined on a surface to a…
The detection of large angular scale $B$-mode in the Cosmic Microwave Background (CMB) polarization signal will open a direct window into not only the primary CMB anisotropies caused by the primordial gravitational waves (PGW) originating…
Motivated by recent experimental observations of opposite Chern numbers in $R$-type twisted MoTe$_2$ and WSe$_2$ homobilayers, we perform large-scale density-functional-theory (DFT) calculations with machine learning force fields to…
Moir\'e superlattices host a rich variety of correlated topological states, including interaction-driven integer and fractional Chern insulators. A common approach to study interacting ground states at integer fillings is the Hartree-Fock…
Large-scale moir\'e systems are extraordinarily sensitive, with even minute atomic shifts leading to significant changes in electronic structures. Here, we investigate the lattice relaxation effect on moir\'e band structures in twisted…
A multiscale (micro-to-macro) analysis is proposed for the prediction of the finite strain behavior of composites with hyperelastic constituents and embedded localized damage. The composites are assumed to possess periodic microstructure…
Morphological change of bilayer membrane in vivo is not a spontaneous procedure but modulated by various types of proteins in general. Most of these modulations are associated with the localization of related proteins in the crowded lipid…
Helmholtz decompositions of elastic fields is a common approach for the solution of Navier scattering problems. Used in the context of Boundary Integral Equations (BIE), this approach affords solutions of Navier problems via the simpler…
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…
Atom- and site-resolved experiments with ultracold atoms in optical lattices provide a powerful platform for the simulation of strongly correlated materials. In this letter, we present a toolbox for the preparation, control and…
Motivated by the discovery of quasi-two-dimensional kagome metals AV$_3$Sb$_5$, we consider the theory of twisted bilayers in which the Fermi surface is near the $M$-point. Surprisingly, unlike twisted bilayers of graphene or transition…