相关论文: Mechanical Properties of Pristine and Defective Ca…
Based on density functional theory (DFT), we performed first-principle studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenide MnPX$_3$ (X=S and Se).…
The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…
In this article, the stability of a complex plasma monolayer levitating in the sheath of the poweredelectrode of an asymmetric capacitively coupled radio-frequency argon discharge is studied. Com-pared to earlier studies, a better…
Phase-field models for anisotropic fracture employ two complementary mechanisms: (i) the anisotropic crack density function, controlling direction-dependent fracture resistance, and (ii) the anisotropic strain energy, governing the fracture…
We explore the oxidation of a single layer of black phosphorous using ab initio density functional theory calculation. We search for the equilibrium structures of phosphorene oxides, PO$_x$ with various oxygen concentrations $x$…
The carbon monolayer band structure calculated in the approximation of weakly interacting {\pi} electrons corresponds to massless electron excitations known as Dirac fermions not previously observed in any other material. However, if strong…
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we…
Phosphorene, an emerging elemental two-dimensional (2D) direct band gap semiconductor with fascinating structural and electronic properties distinctively different from other 2D materials such as graphene and MoS2, is promising for novel…
We report the results of density functional theory (DFT) based calculations on monolayer and bilayer green phosphorene and their heterostructures with MoSe2. Both monolayer and bilayer green phosphorene are direct band gap semiconductors…
Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship…
We present a model of the electronic properties of monolayer transition-metal dichalcogenides based on a tight binding approach which includes the effects of strain and curvature of the crystal lattice. Mechanical deformations of the…
Carbon nanofibers (NFs) have been envisioned with broad promising applications, such as nanoscale actuators and energy storage medium. This work reports for the first-time super-elastic tensile characteristics of NFs constructed from a…
Phospholipid monolayers at the air-water interface serve as model systems for various biological interfaces, e.g. lung surfactant layers and outer leaflets of cell membranes. Although the dynamical (viscoelastic) properties of these…
Black phosphorus is a material with an intrinsic anisotropy in electronic and optical properties due to its puckered honeycomb lattice. Optical absorption is different for incident light with linear polarization in the armchair and zigzag…
Moir\'e superlattices of van der Waals heterostructures provide a powerful new way to engineer the electronic structures of two-dimensional (2D) materials. Many novel quantum phenomena have emerged in different moir\'e heterostructures,…
The goal of the current work is to explore direction-dependent damage initiation and propagation within an arbitrary anisotropic solid. In particular, we aim at developing anisotropic cohesive phase-field (PF) damage models by extending the…
Recent $\textit{ab initio}$ theoretical calculations of the electrical performance of several two-dimensional materials predict a low-field carrier mobility that spans several orders of magnitude (from 26,000 to 35 cm$^{2}$ V$^{-1}$…
Amorphous graphene or amorphous monolayer carbon (AMC) is a family of carbon films that exhibit a surprising sensitivity of electronic conductance to morphology. We combine deep learning-enhanced simulation techniques with percolation…
Using a combination of resonant soft x-ray scattering, magnetometry, x-ray reflectivity and microscopy techniques we have investigated the magnetic properties and microstructure of a series of perpendicular anisotropy Co/Pt multilayer films…
The electric field effect on magnetic anisotropy was studied in an ultrathin Fe(001) monocrystalline layer sandwiched between Cr buffer and MgO tunnel barrier layers, mainly through post-annealing temperature and measurement temperature…