Chendong Zhang

Direct Imaging of Band Profile in Single Layer MoS2 on Graphite: Quasiparticle Energy Gap, Metallic Edge States, and Edge Band Bending

Using scanning tunneling microscopy and spectroscopy, we probe the electronic structures of single layer MoS2 on graphite. The apparent quasiparticle energy gap of single layer MoS2 is measured to be 2.15 ± 0.06 eV at 77 K, albeit a higher second conduction band threshold at 0.2 eV above the apparent conduction band minimum is also observed. Combining it with photoluminescence studies, we deduce an exciton binding energy of 0.22 ± 0.1 eV (or 0.42 eV if the second threshold is use), a value that is lower than current theoretical predictions. Consistent with theoretical predictions, we directly observe metallic edge states of single layer MoS2. In the bulk region of MoS2, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/MoS2 heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.

Determination of band alignment in the single-layer MoS2/WSe2 heterojunction

The emergence of two-dimensional electronic materials has stimulated proposals of novel electronic and photonic devices based on the heterostructures of transition metal dichalcogenides. Here we report the determination of band offsets in the heterostructures of transition metal dichalcogenides by using microbeam X-ray photoelectron spectroscopy and scanning tunnelling microscopy/spectroscopy. We determine a type-II alignment between MoS2 and WSe2 with a valence band offset value of 0.83 eV and a conduction band offset of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of WSe2 and MoS2 are well retained in their respective layers due to a weak interlayer coupling. Moreover, a valence band offset of 0.94 eV is obtained from density functional theory, consistent with the experimental determination.

Tunable interfacial properties of epitaxial graphene on metal substrates

We report on tuning interfacial properties of epitaxially-grown graphenes with different kinds of metal substrates based on scanning tunneling microscopy experiments and density functional theory calculations. Three kinds of metal substrates, Ni(111), Pt(111), and Ru(0001), show different interactions with the epitaxially grown graphene at the interfaces. The different interfacial interaction making graphene n-type and p-type doped, leads to the polarity change of the thermoelectric property of the graphene/metal systems. These findings may give further insights to the interfacial interactions in the graphene/metal systems and promote the use of graphene-based heterostructures in devices.

Probing Critical Point Energies of Transition Metal Dichalcogenides: Surprising Indirect Gap of Single Layer WSe2

By using a comprehensive form of scanning tunneling spectroscopy, we have revealed detailed quasi-particle electronic structures in transition metal dichalcogenides, including the quasi-particle gaps, critical point energy locations, and their origins in the Brillouin zones. We show that single layer WSe2 surprisingly has an indirect quasi-particle gap with the conduction band minimum located at the Q-point (instead of K), albeit the two states are nearly degenerate. We have further observed rich quasi-particle electronic structures of transition metal dichalcogenides as a function of atomic structures and spin-orbit couplings. Such a local probe for detailed electronic structures in conduction and valence bands will be ideal to investigate how electronic structures of transition metal dichalcogenides are influenced by variations of local environment.

Visualizing band offsets and edge states in bilayer–monolayer transition metal dichalcogenides lateral heterojunction

Semiconductor heterostructures are fundamental building blocks for many important device applications. The emergence of two-dimensional semiconductors opens up a new realm for creating heterostructures. As the bandgaps of transition metal dichalcogenides thin films have sensitive layer dependence, it is natural to create lateral heterojunctions (HJs) using the same materials with different thicknesses. Here we show the real space image of electronic structures across the bilayer–monolayer interface in MoSe2 and WSe2, using scanning tunnelling microscopy and spectroscopy. Most bilayer–monolayer HJs are found to have a zig-zag-orientated interface, and the band alignment of such atomically sharp HJs is of type-I with a well-defined interface mode that acts as a narrower-gap quantum wire. The ability to utilize such commonly existing thickness terraces as lateral HJs is a crucial addition to the tool set for device applications based on atomically thin transition metal dichalcogenides, with the advantage of easy and flexible implementation.

Interlayer couplings, Moiré patterns, and 2D electronic superlattices in MoS2/WSe2 hetero-bilayers

A periodic modulation of the local bandgap in the rotationally aligned MoS2/WSe2 bilayer creates a 2D electronic superlattice. By using direct growth, we create a rotationally aligned MoS2/WSe2 hetero-bilayer as a designer van der Waals heterostructure. With rotational alignment, the lattice mismatch leads to a periodic variation of atomic registry between individual van der Waals layers, exhibiting a Moiré pattern with a well-defined periodicity. By combining scanning tunneling microscopy/spectroscopy, transmission electron microscopy, and first-principles calculations, we investigate interlayer coupling as a function of atomic registry. We quantitatively determine the influence of interlayer coupling on the electronic structure of the hetero-bilayer at different critical points. We show that the direct gap semiconductor concept is retained in the bilayer although the valence and conduction band edges are located at different layers. We further show that the local bandgap is periodically modulated in the X-Y direction with an amplitude of ~0.15 eV, leading to the formation of a two-dimensional electronic superlattice.

Boron nanowires for flexible electronics

Flexible boron nanowires have been synthesized via thermoreduction in boron-oxygen compounds with magnesium. These as-prepared nanowires, which are structurally uniform and single crystalline, represent good semiconductor at high temperature. Tensile stress measurements demonstrate excellent mechanical property of boron nanowires as well as resistance to mechanical fracture even under a strain of 3%. Importantly, simultaneous electrical measurement reveals that the corresponding electrical conductance is very robust and remains constant under mechanical strain. Our results can be briefly explained by Mott’s variable range hopping model.

Pressure-induced superconducting state in crystalline boron nanowires

We report high-pressure induced superconductivity in boron nanowires (BNWs) with rhombohedral crystal structure. Obviously different from bulk rhombohedral boron (beta-r-B), these BNWs show a semiconductor-metal transition at much lower pressure than bulk beta-r-B. Also, we found that these BNWs become superconductors with T(c)=1.5 K at 84 GPa, at the pressure of which bulk beta-r-B is still a semiconductor, via in situ resistance measurements in a diamond-anvil cell. With increasing pressure, T(c) of the BNWs increases. The occurrence of superconductivity in the BNWs at a pressure as low as 84 GPa probably arises from the size effect.

Surface-step-terrace-induced anomalous transport properties in highly epitaxial La0.67Ca0.33MnO3 thin films

La0.67Ca0.33MnO3 thin films were epitaxially grown on miscut MgO(001) substrates by pulsed laser ablation. Electrical transport properties were studied by using an ultra high vacuum, four-probe STM system at different temperatures. Anomalous resistivity behavior and metal-insulator transition temperatures were found, both of which are highly dependent upon the miscut angle (1, 3, and 5°). These phenomena are attributed to the difference in residual strain that results from the difference in terrace widths of the vicinal surfaces.

Fabrication of MoSe 2 nanoribbons via an unusual morphological phase transition

Transition metal dichalcogenides (TMDs) are a family of van der Waals layered materials exhibiting unique electronic, optical, magnetic and transport properties. Their technological potentials hinge critically on the ability to achieve controlled fabrication of desirable nanostructures, such as nanoribbons and nanodots. To date, nanodots/nanoislands have been regularly observed, while controlled fabrication of TMD nanoribbons remains challenging. Here we report a bottom-up fabrication of MoSe2 nanoribbons using molecular beam epitaxy, via an unexpected temperature-induced morphological phase transition from the nanodot to nanoribbon regime. Such nanoribbons are of zigzag nature, characterized by distinct chemical and electronic properties along the edges. The phase space for nanoribbon growth is narrowly defined by proper Se:Mo ratios, as corroborated experimentally using different Se fluxes, and supported theoretically using first-principles calculations that establish the crucial role of the morphological reconstruction of the bare Mo-terminated edge. The growth mechanism revealed should be applicable to other TMD systems.