Related papers: A Single Twist-Angle Selection Method for the Elec…
Recently, introducing Tensor Decomposition (TD) techniques into unsupervised feature selection (UFS) has been an emerging research topic. A tensor structure is beneficial for mining the relations between different modes and helps relieve…
The interplay of twist and strain in bilayer graphene enables the formation of moir\'e patterns and narrow bands that host correlated and topological phases. While magic-angle twisted bilayer graphene has been widely studied, strain…
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…
The highest strength-to-weight ratio criterion has fascinated curiosity increasingly in virtually all areas where heft reduction is indispensable. Lightweight materials and their joining processes are also a recent point of research demands…
The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…
Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. We show that dynamic band-structure engineering in twisted bilayer graphene is possible by…
Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic…
We present the first high-twist study of the proton form factors $F_{1,2}(Q^2)$ in $ep$ elastic scattering based on the perturbative QCD $k_T$ factorization, $Q^2$ being momentum transfer squared. It is motivated by unexpectedly large…
Owing to the interaction between the layers, the twisted bilayer two-dimensional materials exhibit numerous unique optical and electronic properties different from the monolayer counterpart, and have attracted tremendous interests in…
Small-angle scattering (SAS) is a key experimental technique for analyzing nano-scale structures in various materials.In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it…
Graph-based learning excels at capturing interaction patterns in diverse domains like recommendation, fraud detection, and particle physics. However, its performance often degrades under distribution shifts, especially those altering…
Twisted bilayers offer a compelling and, at times, confounding platform for the engineering of new twistronic materials. Whereas standard studies almost exclusively focus on the explicit enigma that is presented by twist-angles, perhaps…
In this paper, we systematically investigate the structural and electronic properties of twisted h-BN bilayers to understand the role of the twisting angle. Using first-principles methods with relaxation taken into account, we simulate h-BN…
In twisted bilayer graphene (TBG) devices, local strains frequently coexist and intertwine with the twist-angle-dependent moir\'e superlattice, significantly influencing the electronic properties of TBG, yet their combined effects remain…
We explore an alternative to twist averaging in order to obtain more cost-effective and accurate extrapolations to the thermodynamic limit (TDL) for coupled cluster doubles (CCD) calculations. We seek a single twist angle to perform…
We study the atomic structure of twisted bilayer graphene, with very small mismatch angles ($\theta \sim 0.28^0$), a topic of intense recent interest. We use simulations, in which we combine a recently presented semi-empirical potential for…
Controlling ion transport is a fundamental challenge for advanced energy storage. Bilayer graphene offers a unique platform for modulating ion diffusion via twist-angle-dependent moire superlattices, yet conventional stacking configurations…
The bandgap and band bowing parameter of semiconductor alloys are calculated with a fast and realistic approach. The method is a dielectric scaling approximation that is based on a scissor approximation. It adds an energy shift to the…
Interlayer rotation angle couples strongly to the electronic states of twisted van der Waals layers. However, not every angle is energetically favorable. Recent experiments on rotation-tunable electronics reveal the existence of a discrete…
Using a tight-binding model along with the mean-field Hubbard method, we investigate the effect of twisting angle on the magnetic properties of twisted bilayer graphene (tBLG) quantum dots (QDs) with triangular shape and zigzag edges. We…