We investigate the electronic properties of bilayer MoS2 exposed to an external electric field by using first-principles calculations. It is found that a larger interlayer distance, referring to that by standard density functional theory (DFT) with respect to that by DFT with empirical dispersion corrections, makes indirect-direct band gap transition possible by electric control. We show that external electric field effectively manipulates the valence band contrast between the K- and Γ-valleys by forming built-in electric dipole fields, which realizes an indirect-direct transition before a semiconductor-metal transition happens. Our results provide a novel efficient access to tune the electronic properties of two-dimensional layered materials.

Today, the renaissance of black phosphorus largely depends on the mechanical exfoliation method, which is accessible to produce few-layer forms from the bulk counterpart. However, the deep understanding of the exfoliation mechanism is missing. To this end, we resolve this issue by simulating the sliding processes of bilayer phosphorene based on first-principles calculations. It is found that the interlayer Coulomb interactions dictate the optimal sliding pathway, leading to the minimal energy barrier as low as ∼60 meV, which gives a comparable surface energy of ∼59 mJ/m 2 in experiment. This means that black phosphorus can be exfoliated by the sliding approach. In addition, considerable bandgap modulations along these sliding pathways are obtained. The study like ours builds up a fundamental understanding of how black phosphorus is exfoliated to few-layer forms, providing a good guide to experimental research.

Orthorhombic arsenene was recently predicted as an indirect bandgap semiconductor. Here, we demonstrate that nanostructuring arsenene into nanoribbons successfully transform the bandgap to be direct. It is found that direct bandgaps hold for narrow armchair but wide zigzag nanoribbons, which is dominated by the competition between the in-plane and out-of-plane bondings. Moreover, straining the nanoribbons also induces a direct bandgap and simultaneously modulates effectively the transport property. The gap energy is largely enhanced by applying tensile strains to the armchair structures. In the zigzag ones, a tensile strain makes the effective mass of holes much higher while a compressive strain cause it much lower than that of electrons. Our results are crucial to understand and engineer the electronic properties of two dimensional materials beyond the planar ones like graphene.

The microstructure and mechanical properties of dissimilar AZ based magnesium alloys subjected to laser-tungsten inert gas (TIG) hybrid welding have been investigated. The results show that magnesium alloys can be readily welded as dissimilar joints using this process. The microstructure of the dissimilar magnesium alloy joints is composed of primary a phase (Mg) and b phase (Mg 17 Al 12 ), based on electron probe microanalysis (EPMA) and X-ray diffraction (XRD) data. In addition, the tensile strength of AZ31B-AZ61 and -AZ91 joints is equal to that of AZ31B base metal. It has also been found that the presence of b phase has a severe influence on the tensile strength and mirohardness of dissimilar magnesium alloy joints.

Orthorhombic arsenene was recently predicted as an indirect bandgap semiconductor. Here, we demonstrate that nanostructuring arsenene into nanoribbons can successfully transform the bandgap to be direct. It is found that direct bandgaps hold for narrow armchair but wide zigzag nanoribbons, which is dominated by the competition between the in-plane and out-of-plane bondings. Moreover, straining the nanoribbons also induces a direct bandgap and simultaneously modulates effectively the transport property. The gap energy is largely enhanced by applying tensile strains to the armchair structures. In the zigzag ones, a tensile strain makes the effective mass of holes much higher while a compressive strain cause it much lower than that of electrons. Our results are crutial to understand and engineer the electronic properties of two dimensional materials beyond the planar ones like graphene.