Related papers: General Electronic Structure Calculation Method fo…
Two-dimensional (2D) materials combine many fascinating properties that make them more interesting than their three-dimensional counterparts for a variety of applications. For example, 2D materials exhibit stronger electron-phonon and…
Estimating the tortuosity of porous electrodes is important for understanding the performance of lithium-ion batteries and optimizing the design of electrode microstructures. In this work, a new method for estimating the tortuosity of…
Materials that change their shape in response to external stimuli opens up new prospects for efficient and versatile design and shaping of three-dimensional objects. Here, we present a novel class of micro-structures exhibiting an…
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…
Experimental advances in the fabrication and characterization of few-layer materials stacked at a relative twist of small angle have recently shown the emergence of flat energy bands. As a consequence electron interactions become relevant,…
Linear codes with a few weights have wide applications in information security, data storage systems, consuming electronics and communication systems. Construction of the linear codes with a few weights and determination of their parameters…
The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly.…
Existing methods for calculating substructure characteristic modes require treating interconnected metal structures as a single entity to ensure current continuity between different metal bodies. However, when these structures are treated…
Two-dimensional (2D) materials have attracted significant interest due to their tunable physical properties when stacked into homo- and hetero-structures. Twisting adjacent layers introduces moir\'{e} patterns that strongly influence the…
The world of 2D materials is rapidly expanding with new discoveries of stackable and twistable layered systems composed of lattices of different symmetries, orbital character, and structural motifs. Often, however, it is not clear a priori…
Shape-morphing structures, which are able to change their shapes from one state to another, are important in a wide range of engineering applications. A popular scenario is morphing from an initial two-dimensional (2D) shape that is flat to…
Rod-based structures are commonly used in practical applications in science and engineering. However, in many design, analysis, and manufacturing tasks, handling the rod-based structures in three dimensions directly is generally…
Moir\'e systems featuring flat electronic bands exhibit a vast landscape of emergent exotic quantum states, making them one of the resourceful platforms in condensed matter physics in recent times. Tuning these systems via twist angle and…
Momentum space transformations for incommensurate 2D electronic structure calculations are fundamental for reducing computational cost and for representing the data in a more physically motivating format, as exemplified in the…
Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is…
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…
The paper presents numerical simulations performed on dielectric properties of two-dimensional binary composites on eleven regular space filling tessellations. First, significant contributions of different parameters, which play an…
Twistronics has received much attention as a new method to manipulate the properties of 2D van der Waals structures by introducing moir\'e patterns through a relative rotation between two layers. Here we begin a theoretical exploration of…
Complex and interesting electromagnetic behavior can be found in spaces with non-flat topology. When considering the properties of an electromagnetic medium under an arbitrary coordinate transformation an alternative interpretation presents…
In computational physics and materials science, first-principles methods, particularly density functional theory, have become central tools for electronic structure prediction and materials design. Recently, rapid advances in artificial…