Related papers: Novel Two-Dimensional Silicon Dioxide with in-plan…
A material exhibiting a negative Poisson's ratio is always one of the leading topics in materials science, which is due to the potential applications in those special areas such as defence and medicine. In this letter, we demonstrate a new…
The mechanical stretchability is the magnitude of strain which a material can suffer before it breaks. Materials with high mechanical stretchability, which can reversibly withstand extreme mechanical deformation and cover arbitrary surfaces…
Dilational materials are stable three-dimensional isotropic auxetics with an ultimate Poisson's ratio of -1. We design, evaluate, fabricate, and characterize crystalline metamaterials approaching this ideal. To reveal all modes, we…
It is difficult to intuit how electronic structure features$-$such as band gap magnitude, location of band extrema, effective masses, etc.$-$arise from the underlying crystal chemistry of a material. Here we present a strategy to distill…
Silicene is a monolayer of silicon atoms forming a two-dimensional honeycomb lattice. We investigate the topological properties of a silicene superstructure generated by an external periodic potential. The superstructure is a quantum…
In the last decade, the materials community has been exploring new 2D materials (graphene, metallene, TMDs, TMCs, MXene, among others) that have unique physical and chemical properties. Recently, a new family of 2D materials, the so-called…
Although 2D solids and their vdW heterostructures have garnered much attention recently, their amorphous forms have been less explored. We present a detailed analysis of the structural, electronic, and thermal properties of 2D amorphous…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
Two-dimensional (2D) metal-organic frameworks (MOFs) hold immense potential for various applications due to their distinctive intrinsic properties compared to their 3D analogues. Herein, we designed in silico a highly stable…
Recently, some eccentricity-invariant properties of random, isotropic, two-dimensional (2D) systems of conductive ellipses have been reported [Phys. Rev. B \bf{104}, 184205 (2021)]. Moreover, the authors suggested that this invariance might…
Recently, an atomic-scale two-dimensional silicon carbide monolayer has been synthesized {[}Polley \emph{et al., }Phys. Rev. Lett. \textbf{130},076203 (2023){]} which opens up new possibilities for developing next-generation electronic and…
High-dielectric constant and wide band gap oxides have important technological applications. The crystalline oxide polymorphs having lattice constant compatibility to silicon are particularly desirable. One recently reported candidate is…
Two-dimensional (2D) antimony, so-called antimonene, can form antimonene oxide when exposed to air. We present different types of single- and few-layer antimony oxide structures, based on density functional theory (DFT) calculations.…
We consider a planar two-dimensional system between two media with different dielectric constants and in the presence of a third dielectric medium separated by a nonplanar interface. Extending a perturbative method for solving Poisson's…
Silicene, a monolayer of silicon atoms tightly packed into a two-dimensional honeycomb lattice, is the challenging hypothetical reflection in the silicon realm of graphene, a one-atom thick graphite sheet, presently the hottest material in…
Silicene is the counterpart of graphene and its potential applications as a part of the current electronics, based in silicon, make it a very important system to study. We perform molecular dynamics simulations and analyze the structure of…
On basis of the first principle calculation we show that a crystalline structure of silicon, as a novel allotrope with nanotubular holes along two perpendicular directions, is stable. The calculations on geometrical and electronic…
Most materials exhibit positive Poisson's ratio (PR) values but special structures can also present negative and, even rarer, zero (or close to zero) PR. Null PR structures have received much attention due to their unusual properties and…
We propose a promising two-dimensional nano-sheet of SiC2 (SiC2-pentagon) consisting of tetrahedral silicon atoms and triple-linked carbon atoms in a fully-pentagon network. The SiC2-pentagon with buckled configuration is more favorable…
Old and novel layered structures are attracting increasing attention for their physical, electronic, and frictional properties. SiS$_2$, isoelectronic to SiO$_2$, CO$_2$ and CS$_2$, is a material whose phases known experimentally up to 6…