相关论文: Strain-engineering of graphene's electronic struct…

Germanium is a strong candidate as a laser source for silicon photonics. It is widely accepted that the band structure of germanium can be altered by tensile strain so as to reduce the energy difference between its direct and indirect band…

Ductile damage models and cohesive laws incorporate the material plasticity entailing the growth of irrecoverable deformations even after complete failure. This unrealistic growth remains concealed until the unilateral effects arising from…

Ever since the discovery of graphene and subsequent explosion of interest in single atom thick materials, studying their mechanical properties has been an active area of research. New length scales often necessitate a rethinking of physical…

The experimental control over the twist angle in twisted bilayer graphene has not been reported and its realistic structure is most likely incommensurate. In this paper, we develop a tight-binding virtual crystal approximation theory to…

G. Cocco, E. Cadelano, and L. Colombo [Phys. Rev. B 81, 241412(R) (2010)] have suggested that combinations of shear and uniaxial strain can be used to open a band gap in graphene at much lower levels of strain than with the application of…

The remarkable properties of graphene are inherent to its 2D honeycomb lattice structure. Its low dimensionality, which makes it possible to rearrange the atoms by applying an external force, offers the intriguing prospect of mechanically…

In this paper we deal with the important problem of estimating the local strain tensor from a sequence of micro-structural images realized during deformation tests of engineering materials. Since the strain tensor is defined via the…

We describe a method and its implementation for calculating electronic structure and electron transport without approximating the structure using periodic super-cells. This effectively removes spurious periodic images and interference…

The electronic properties of a material depend on the spatial freedom of the electron wavefunction. A well-known example is graphite, which is a conventional gapless semiconductor, while a single layer of it, graphene, exhibits extremely…

We present a study on the uniformity of the pseudomagnetic field in graphene as a function of the relative orientation between the graphene lattice and straining directions. For this, we strained a regular micron-sized graphene hexagon by…

We propose a novel protocol of low-temperature, strain-tuned re-entrant metal-insulator transition and crossover between strongly correlated line-graph lattices (Lieb and Kagome). Using a non-perturbative numerical approach, we demonstrate…

Two-dimensional transition metal dichalcogenides have attracted great attention recently. Motivated by a recent study of crystalline bulk VTe$_2$, we theoretically investigated the spin-charge-lattice interplay in monolayer VTe$_2$. To…

We study the electronic structure of graphene in the presence of either sevenfolds or eightfolds by using a gauge field-theory model. The graphene sheet with topological defects is considered as a negative cone surface with infinite…

Strain engineering has emerged as a powerful tool to modify the optical and electronic properties of two-dimensional crystals. Here we perform a systematic study of strained semiconducting transition metal dichalcogenides. The effect of…

Strain-engineered graphene has garnered much attention recently owing to the possibilities of creating substantial energy gaps enabled by pseudo-magnetic fields. While theoretical works proposed the possibility of creating large-area…

Understanding how water wets graphene is critical for predicting and controlling its behaviour in nanofluidic, sensing, and energy applications. A key measure of wetting is the contact angle made by a liquid droplet against the surface, yet…

The correlation between structural distortion and emergence of magnetism in graphene containing a single vacancy was investigated using first-principles calculations based on density functional theory (DFT). Our results have shown that a…

Moir\'e superlattices in graphene supported on various substrates have opened a new avenue to engineer graphene's electronic properties. Yet, the exact crystallographic structure on which their band structure depends remains highly debated.…

Due to its strong bonds graphene can stretch up to 25% of its original size without breaking. Furthermore, mechanical deformations lead to the generation of pseudo-magnetic fields (PMF) that can exceed 300 T. The generated PMF has opposite…

We have used scanning tunneling microscopy and spectroscopy to resolve the spatial variation of the density of states of twisted graphene layers on top of a highly oriented pyrolytic graphite substrate. Owing to the twist a moire pattern…