Manipulating Edge Current in Hexagonal Boron Nitride via Doping and Friction.

We map spatially correlated electrical current on the stacking boundaries of pristine and doped hexagonal boron nitride (hBN) to distinguish from its insulating bulk via conductive atomic force microscopy (CAFM). While the pristine edges of hBN show an insulating nature, the O-doped edges reveal a current 2 orders of higher even for bulk layers where the direct transmission through tunnel barrier is implausible. Instead, the nonlinear current-voltage characteristics (I-V) at the edges of O-doped hBN can be explained by trap-assisted lowering of the tunnel barrier by adopting a Poole-Frenkel (PF) model. However, in the stacked heterostructure with multilayer graphene (MLG) on top, the buried edge of pristine hBN shows a signature of electron conduction in the scanning mode which contradicts the first-principle calculation of spatial distribution of local density of states (LDOS) data. Enhancement of friction between the Pt-tip and MLG at the step-edge of the heterostructure while scanning in the contact mode has prompted us to construct a phenomenological model where the localization of opposite surface charges on two conducting plates (MLG and Si substrate) containing a dielectric film (hBN) with negatively charged defects creates an internal electric field opposite to the external electric field due to the applied voltage bias in the CAFM setup. An equivalent circuit with a parallel resistor network based on a vertical conducting channel through the MLG/hBN edge and an in-plane surface carrier transport through MLG can successfully analyze the current maps on pristine/doped hBN and the related heterostructures. These results yield fundamental insight into the emerging field of insulatronics in which defect-induced electron transport along the edge can be manipulated in an 1D-2D synergized insulator.

Role of Surface Termination in the Metal-Insulator Transition of V2O3(0001) Ultrathin Films.

Surface termination is known to play an important role in determining the physical properties of materials. It is crucial to know how surface termination affects the metal-insulator transition (MIT) of V2O3 films for both fundamental understanding and its applications. By changing growth parameters, we achieved a variety of surface terminations in V2O3 films that are characterized by low-energy electron diffraction (LEED) and photoemission spectroscopy techniques. Depending upon the terminations, our results show that MIT can be partially or fully suppressed near the surface region due to the different fillings of the electrons at the surface and subsurface layers and the change of screening length compared to the bulk. Across MIT, a strong redistribution of spectral weight and its transfer from a high-to-low-binding energy regime is observed in a wide energy scale. Our results show that the total spectral weight in the low-energy regime is not conserved across MIT, indicating a breakdown of the "sum rules of spectral weight", signature of a strongly correlated system. Such a change in spectral weight is possibly linked to the change in hybridization, lattice volume (i.e., effective carrier density), and the spin degree of freedom in the system that occurs across MIT. We find that MIT in this system is strongly correlation-driven, where the electron-electron interactions play a pivotal role. Moreover, our results provide better insight into the understanding of the electronic structure of strongly correlated systems and highlight the importance of accounting for surface effects during interpretation of the physical property data mainly using surface-sensitive probes, such as surface resistivity.

Quantum well states in Ag thin films on MoS2(0001) surfaces.

In-plane dispersions of quantum well (QW) states originating from the electron confinement of Ag sp electrons within the MoS(2) band gap region are investigated by means of angle-resolved photoemission spectroscopy (ARPES). A number of QW resonances have been observed in the ARPES spectra in a binding energy range lying outside the MoS(2) energy gap which is required for full confinement of the Ag sp electrons. In spite of having the expected free electron-like behavior, these QW states show a significant increase of in-plane effective mass with increasing binding energy due to the hybridization of Ag sp electrons with the MoS(2) valence bands. The binding energy dependence of the bottom of the QW states (k(//) = 0) as a function of the Ag film thickness has been analyzed. The well-established phase accumulation model has been applied for calculating the phase shifts of electrons at the boundaries. Our observations show that the total phase shift behaves differently for energies above and below the MoS(2) valence band maxima, due to the hybridizations being different in nature. The structure plot calculated considering the different quantum number dependent total phase shifts provides a good description of the experimental observations.

Electronic structure investigation of MoS2 and MoSe2 using angle-resolved photoemission spectroscopy and ab initio band structure studies.

Angle-resolved photoemission spectroscopy (ARPES) and ab initio band structure calculations have been used to study the detailed valence band structure of molybdenite, MoS(2) and MoSe(2). The experimental band structure obtained from ARPES has been found to be in good agreement with the theoretical calculations performed using the linear augmented plane wave (LAPW) method. In going from MoS(2) to MoSe(2), the dispersion of the valence bands decreases along both k(parallel) and k(perpendicular), revealing the increased two-dimensional character which is attributed to the increasing interlayer distance or c/a ratio in these compounds. The width of the valence band and the band gap are also found to decrease, whereas the valence band maxima shift towards the higher binding energy from MoS(2) to MoSe(2).

Inhomogeneous band bending on MoS2(0001) arising from surface steps and dislocations.

We study the observed inhomogeneous band bending effects on cleaved MoS(2)(0001) single-crystal surfaces. Both Mo 3d and S 2p core levels were found to shift to lower binding energy in regions of the MoS(2) crystal with high step densities, as suggested by spot splitting of the LEED (low energy electron diffraction) pattern. Surface electronic band structure measurements also reveal a rigid shift of the valence bands in these regions, resulting from local Fermi level pinning effects. A surface electric field gradient on the MoS(2) crystals caused by the charged dislocations from the regions of high step densities generated by the cleaving process is found to explain most of the experimental observations.

Spin-flop ordering from frustrated ferro- and antiferromagnetic interactions: a combined theoretical and experimental study of a Mn/Fe(100) monolayer.

The occurrence of a noncollinear magnetic structure at a Mn monolayer grown epitaxially on Fe(100) is predicted theoretically, using spinor density-functional theory, and observed experimentally, using x-ray magnetic circular dichroism (XMCD) and linear dichroism (XMLD) spectroscopies. The combined use of XMCD and XMLD at the Mn-absorption edge allows us to assess the existence of ferromagnetic and antiferromagnetic order at the interface, and also to determine the moment orientations with element specificity. The experimental results thus obtained are in excellent agreement with the magnetic structure determined theoretically.

Direct observation of large electronic domains with memory effect in doped manganites.

We use a spatially resolved, direct spectroscopic probe for electronic structure with an additional sensitivity to chemical compositions to investigate high-quality single crystal samples of La(1/4)Pr(3/8)Ca(3/8)MnO3, establishing the formation of distinct insulating domains embedded in the metallic host at low temperatures. These domains are found to be at least an order of magnitude larger in size compared to previous estimates and exhibit memory effects on temperature cycling in the absence of any perceptible chemical inhomogeneity, suggesting long-range strains as the probable origin.