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Using combination of Density Functional Theory and Monte Carlo simulation, we study the phase stability and electronic properties of two dimensional hexagonal composites of boron nitride and graphene, with a goal to uncover the role of the…
Manipulating the circular polarization of light is of great importance in chemistry and biology, as chiral molecules exhibit different physiological properties when exposed to different circularly polarized waves. Here we suggest a…
We present an intuitive physical picture for fractures in nacre-type stratified materials via scaling arguments: strain distributions around a fracture are rather different depending on directions and size of fractures. We thus observe that…
Graphene is a promising platform for spin-based non-volatile memory, logic, and neuromorphic computing by combining long-distance spin transport with electrical tunability at room temperature. However, advancing beyond passive spin channels…
Research on graphene has revealed its unique optical properties, including strong coupling with light, high-speed operation, and gate-variable optical conductivity, which promise to satisfy the needs of future electro-optic (EO) modulators.…
Flow in fractured porous media represents a challenge for discretization methods due to the disparate scales and complex geometry. Herein we propose a new discretization, based on the mixed finite element method and mortar methods. Our…
We present a thermal device based on the near-field interaction between two substrates made of a polar and a metal-insulator-transition material. As a result of the temperature dependence of the optical properties, this device acts as a…
Graphene revealed a number of unique properties beneficial for electronics. However, graphene does not have an energy band-gap, which presents a serious hurdle for its applications in digital logic gates. The efforts to induce a band-gap in…
For electron optics in graphene, the propagation effect has so far been the only physical mechanism available. The resulting electron-optics-based components are large in size and operate at low temperatures to avoid violating the ballistic…
The topologies of existing interface elements used to discretize cohesive cracks are such that they can be used to compute the relative displacements (displacement discontinuities) of two opposing segments (in 2D) or of two opposing facets…
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…
Variational phase-field models of fracture are widely used to simulate nucleation and propagation of cracks in brittle materials. They are based on the approximation of the solutions of free-discontinuity fracture energy by two smooth…
In this work we will focus on the effects produced by topological disorder on the electronic properties of a graphene plane. The presence of this type of disorder induces curvature in the samples of this material, making quite difficult the…
We report the possibility to generate tremendous light-field enhancements within shallow nano-trenches made in a high index dielectric material, because of resonant behaviours reminiscent of what we get with sub-wavelength plasmonic…
Void defect is a possible origin of ferromagnetic like feature of pure carbon material. Applying density functional theory to void defect induced graphene nano ribbon (GNR), a detailed relationship between multiple spin state and structure…
The critical current of a superconductor can be different for opposite directions of current flow when both time-reversal and inversion symmetry are broken. %When time-reversal and inversion symmetry are simultaneously broken, the critical…
The shape of a nanomechanical resonator profoundly affects its mechanical properties and determines its suitability for various applications, such as ultra-sensitive mass and force detection. Despite the promise of two-dimensional…
We generalize the continuum model for Moir\'e structures made from twisted graphene layers, in order to include lattice relaxation and the formation of channels at very small (marginal) twist angles. We show that a precise description of…
We construct a continuum model of twisted trilayer graphene using {\it ab initio} density-functional-theory calculations, and apply it to address twisted trilayer electronic structure. Our model accounts for moir\'e variation in site…
Graphene with its dispersion relation resembling that of photons offers ample opportunities for applications in electron optics. The spacial variation of carrier density by external gates can be used to create electron waveguides, in…