Transition metal dichalcogenides such as the semiconductor MoS2 are a class of two-dimensional crystals. The surface morphology and quality of MoS2 grown by chemical vapor deposition are examined using atomic force and scanning tunneling microscopy techniques. By analyzing the moiré patterns from several triangular MoS2 islands, we find that there exist at least five different superstructures and that the relative rotational angles between the MoS2 adlayer and graphite substrate lattices are typically less than 3°. We conclude that since MoS2 grows at graphite step-edges, it is the edge structure which controls the orientation of the islands, with those growing from zig-zag (or armchair) edges tending to orient with one lattice vector parallel (perpendicular) to the step-edge.

Surfaces of semiconductors with strong spin-orbit coupling are of great interest for use in spintronic devices exploiting the Rashba effect. BiTeI features large Rashba-type spin splitting in both valence and conduction bands. Either can be shifted towards the Fermi level by surface band bending induced by the two possible polar terminations, making Rashba spin-split electron or hole bands electronically accessible. Here we demonstrate the first real-space microscopic identification of each termination with a multi-technique experimental approach. Using spatially resolved tunnelling spectroscopy across the lateral boundary between the two terminations, a previously speculated on p-n junction-like discontinuity in electronic structure at the lateral boundary is confirmed experimentally. These findings realize an important step towards the exploitation of the unique behaviour of the Rashba semiconductor BiTeI for new device concepts in spintronics.

Incorporating spin-polarized scanning tunneling microscopy (SP-STM) measurements and first-principles calculations, we resolve spin-polarized states and consequent features in a pentacene(PEN)-Co hybrid system. Symmetry reduction of PEN clarifies the PEN adsorption site and the Co stacking methods. Near the Fermi energy, the molecular symmetry is spin-dependently recovered and an inversion of spin-polarization in PEN with respect to Co is observed. The experimental findings and calculation results are interpreted by a pz-d hybridization model, in which spin-dependent bonding-antibonding splitting of molecular orbitals happens at metal-organic spinterfaces.

By using first-principles calculations, we investigate the electronic structures and transport properties of a self-assembled Fe 2 −PTCDA chain. This experimentally observed chain can grow as long as a few tens of nanometers and our calculations suggest that it conducts as a half-metal. Spin-polarized transport properties are attributed to conducting bands of the minority spin near the Fermi energy, raised by the hybridization between orbitals of the molecule and the iron atoms, while a band gap of the majority spin exists. Moreover, this system features a highly spin-polarized negative differential resistance, due to the alignment of conducting bands and the match of their symmetries, which can be integrated to build multifunction spintronic devices.

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