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Register a new userInterplay between edge and bulk states in silicene nanoribbon
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We investigate the interplay between the edge and bulk states, induced by the Rashba spin-orbit coupling, in a zigzag silicene nanoribbon in the presence of an external electric field. The interplay can be divided into two kinds, one is the interplay between the edge and bulk states with opposite velocities, and the other is that with the same velocity direction. The former can open small direct spin-dependent subgaps. A spin-polarized current can be generated in the nanoribbon as the Fermi energy is in the subgaps. While the later can give rise to the spin precession in the nanoribbon. Therefore, the zigzag silicene nanoribbon can be used as an efficient spin filter and spin modulation device.
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We study the interplay between the edge states and a single impurity in a zigzag graphene nanoribbon. We use tight-binding exact diagonalization techniques, as well as density functional theory calculations to obtain the eigenvalue spectrum, the eigenfunctions, as well the dependence of the local density of states (LDOS) on energy and position. We note that roughly half of the unperturbed eigenstates in the spectrum of the finite-size ribbon hybridize with the impurity state, and the corresponding eigenvalues are shifted with respect to their unperturbed values. The maximum shift and hybridization occur for a state whose energy is inverse proportional to the impurity potential; this energy is that of the impurity peak in the DOS spectrum. We find that the interference between the impurity and the edge gives rise to peculiar modifications of the LDOS of the nanoribbon, in particular to oscillations of the edge LDOS. These effects depend on the size of the system, and decay with the distance between the edge and the impurity.
We investigate the single and multiple defects embedded in a superconducting host, studying interplay between the proximity induced pairing and interactions. We explore influence of the spin-orbit coupling on energies, polarization and spatial patterns of the bound (Yu-Shiba-Rusinov) states of magnetic impurities in 2-dimensional square lattice. We also address the peculiar bound states in the proximitized Rashba chain, resembling the Majorana quasiparticles, focusing on their magnetic polarization which has been recently reported by S. Jeon et al., [Science 358, 772 (2017)]. Finally, we study leakage of these polarized Majorana quasiparticles on the side-attached nanoscopic regions and confront them with the subgap Kondo effect near to the singlet-doublet phase transition.
Stone-Wales (SW) defects are favorably existed in graphenelike materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and electronic properties of SW defects in bulk silicene and its nanoribbons as a function of their concentration using the methods of periodic boundary conditions with first-principles calculations. We first calculate the formation energy, structural properties, and electronic band structures of SW defects in bulk silicene, with dependence on the concentration of SW defects. Our results show a good agreement with available values from the previous first-principles calculations. The energetics, structural aspects, and electronic properties of SW defects with dependence on defect concentration and location in edge-hydrogenated zigzag silicene nanoribbons are obtained. For all calculated concentrations, the SW defects prefer to locate at the edge due to the lower formation energy. The SW defects at the center of silicene nanoribbons slightly influence on the electronic properties, whereas the SW defects at the edge of silicene nanoribbons split the degenerate edge states and induce a sizable gap, which depends on the concentration of defects. It is worth to find that the SW defects produce a perturbation repulsive potential, which leads the decomposed charge of edge states at the side with defect to transfer to the other side without defect.
The effect of chemical doping on the ZSiNRs with Mn as passivating element replacing H atoms at one edge are investigated by first principles calculations.The structures optimized in the typical ferromagnetic and antiferromagnetic coupling show that the system leads to an AFM state and achieve half metallic properties.Also,our first principle approach based on the Keldysh nonequilibrium Greens function method gives the spin dependent transport properties of the device. When the system changes from parallel to antiparallel configuration. the spin up current increases rapidly while the spin down current is still depressed. Further, it is found that the system is a quite good spin filtering device with nearly 80 percent spin filtering efficiency at a wide bias voltage region and therefore suitable for applications. The mechanisms for these phenomena are proposed in detail.
The boundaries of quantum materials can host a variety of exotic effects such as topologically robust edge states or anyonic quasiparticles. Here, we show that fermionic systems such as graphene that admit a low energy Dirac description can exhibit counterintuitive relativistic effects at their boundaries. As an example, we consider carbon nanotubes and demonstrate that relativistic bulk spinor states can have non zero charge density on the boundaries, in contrast to the sinusoidal distribution of non-relativistic wave functions that are necessarily zero at the boundaries. This unusual property of relativistic spinors is complementary to the linear energy dispersion relation exhibited by Dirac materials and can influence their coupling to leads, transport properties or their response to external fields.
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