Grain boundaries (GBs) are ubiquitous in polycrystalline graphene materials obtained by various growth methods. It has been shown previously that considerable electrical transport gap can be opened by grain boundaries. On the other hand, polycrystalline graphene with GBs is an atomically thin membrane that can sustain extraordinary amount of strain. Here, by using atomistic quantum transport numerical simulations, we examine modulation of electrical transport properties of graphene GBs. The results indicate the modulation of transport gap and electrical conductance strongly depends on the topological structure of the GB. The transport gap of certain GBs can be significantly widened by strain, which is useful for improving the on-off ratio in potential transistor applications and for applications as monolayer strain sensors
Phosphorene is a single elemental two-dimensional semiconductor that has quickly emerged as a high mobility material for transistors and optoelectronic devices. In addition, being a 2D material, it can sustain high levels of strain, enabling sensitive modification of its electronic properties. In this paper, we investigate the strain dependent electrical properties of phosphorene nanocrystals. Performing extensive calculations we determine electrical conductance as a function uniaxial as well as biaxial strain stimulus, and uncover a unique zone phase diagram. This enables us to uncover for th…
The transmission of the electron across the single normal metal-graphene (NG) and normal-metal-graphene-normal-metal (NGN) junctions has been investigated. For the single NG junction, the profile of the maximum transmission which has been plotted against the dimensionless interface hopping respectively bears similarity to that of the conductance of the system. The minor effect of the incidence energy on transmission can also be found in conductance of the single NG junction whose tunneling behavior poses a striking difference from that of the NGN junction. Concerning with NGN junction, the tra…
We consider a single-layer graphene with high ripples, so that the pseudo-magnetic fields due to these ripples are strong. If the magnetic length corresponding to a typical pseudo-magnetic field is smaller than the ripple size, the resulting Landau levels are local. Then the effective properties of the macroscopic sample can be calculated by averaging the local properties over the distribution of ripples. We find that this averaging does not wash out the Landau quantization completely. Average density of states (DOS) contains a feature (inflection point) at energy corresponding to the first La…
Graphene's outstanding mechanical properties lend to strain engineering, allowing for future valleytronics and nanoelectromechanic applications. In this work, we have found that a Gaussian-shaped strain on a graphene p-n junction results in quantum Hall conductance oscillations due to the rotated angle between valley isospins at the graphene armchair edges. Furthermore, additional Fano resonances were observed as the value of the strain-induced pseudo-magnetic field approaches that of the external magnetic field. The lifted valley degeneracy, stemming from the interplay between the real and ps…
Based on first-principles approaches, we study the ballistic phonon transport properties of finite monatomic carbon chains stretched between graphene nanoribbons, an $sp$-$sp^2$ hybrid carbon nanostructure that has recently seen significant experimental advances in its synthesis. We find that the lattice thermal conductance anomalously increases with tensile strain for the even-numbered carbon chains that adopt the alternating bond-length polyyne configuration. On the other hand, in the odd-numbered carbon chain cases, which assume the equal bond-length cumulene configuration, phonon conductan…
We test the valley-filtering capabilities of a quantum dot inscribed by locally straining an $α$-$\mathcal{T}_3$ lattice. Specifically, we consider an out-of-plane Gaussian bump in the center of a four-terminal configuration and calculate the generated pseudomagnetic field having an opposite direction for electrons originating from different valleys, the resulting valley-polarized currents, and the conductance between the injector and collector situated opposite one another. Depending on the quantum dot's width and width-to-height ratio, we detect different transport regimes with and without v…
Strain engineering is one of the key technologies for using graphene as an electronic device: the strain-induced pseudo-gauge field reflects Dirac electrons, thus opening the so-called conduction gap. Since strain accumulates in constrictions, graphene nanoconstrictions can be a good platform for this technology. On the other hand, in the graphene nanoconstrictions, Fabry-Perot type quantum interference dominates the electrical conduction at low bias voltages. We argue that these two effects have different strain dependence; the pseudo-gauge field contribution is symmetric with respect to posi…
Molecular dynamics simulations are used to investigate strain localization in a model nanocrystalline metal. The atomic mechanisms of such catastrophic failure are first studied for two grain sizes of interest. Detailed analysis shows that the formation of a strain path across the sample width is crucial, and can be achieved entirely through grain boundary deformation or through a combination of grain boundary sliding and grain boundary dislocation emission. Pronounced mechanically-induced grain growth is also found within the strain localization region. The effects of testing conditions on st…
Decoupling the effects of ripples from tensile strain on the thermal conductivity of graphene and understanding the role of curvature on the thermal conductivity of graphene with grain boundaries
We calculated a spin-polarized conductance in the almost unexplored nanostructure "high temperature ferromagnetic insulator/ graphene/ ferroelectric film" with a special attention to the impact of electric polarization rotation in a strained multiaxial ferroelectric film. The rotation and value of polarization vector are controlled by a misfit strain. We proposed a phenomenological model, which takes into account the shift of the Dirac point due to the proximity of ferromagnetic insulator and uses the Landauer formula for the conductivity of the graphene channel. We derived analytical expressi…
