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Transport properties of Cu-AlF3-W and Cu-AlF3-Cu heterojunctions using STS measurements and a DFT-NEGF approach
摘要： To understand and to analyze the transport properties of different metal-insulator systems, we developed an experimental study of the electronic transport properties of AlF3 thin films deposited over a Cu(1 0 0) substrate, and a theoretical study to model systems composed by an AlF3 molecule between two metallic Cu(1 0 0)-W(1 0 0) and Cu(1 0 0)-Cu(1 0 0) electrodes with different geometries. The left common electrode is always a Cu(1 0 0) layer, meanwhile the right changing electrode, W(1 0 0) or Cu(1 0 0), in some cases is represented as a layer and in others as having a tip ending. Tunnelling current against voltage (I-V) characteristic curves have been obtained by Scanning Tunneling Spectroscopy (STS) measurements and computed using density functional theory (DFT) with the non equilibrium Green function method (NEGF) within a bias voltage range from ?2.5 to 5.0 V. The theoretical curves show low current values, in the order of 10?12 to 10?9, in good agreement with the I-V experimental curves in the same range. This reveals that breakdown response currents begin at higher voltages than 5.0 V. The transmission spectrum, total (DOS) and partial (PDOS) density of states are also presented being the transmission variations addressed in terms of the DOS.
关键词： Scanning Tunneling Spectroscopy (STS),Non Equilibrium Green Functions (NEGF),Scanning Tunneling Microscopy (STM),Electronic transport,AlF3 thin films
更新于2025-09-04 15:30:14
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Two distinct surface terminations of SrVO <sub/>3</sub> (001) ultrathin films as an influential factor on metallicity
摘要： Pulsed laser deposition-grown SrVO3 (001) ultrathin films on SrTiO3 (001) substrates were investigated by in situ low-temperature scanning tunneling microscopy and spectroscopy. SrVO3 (001) ultrathin films showed two distinct surface terminations. One termination was a ((√2 × √2)-R45° reconstruction as was previously observed for SrVO3 (001) thick films, while the other was a ((√5 × √5)-R26.6° reconstruction. Scanning tunneling spectroscopy revealed that the ((√2 × √2)-R45° surface shows a metallic electronic structure, whereas the ((√5 × √5)-R26.6° surface exhibits a significantly reduced density of states at the Fermi level. These results suggest that the surface reconstruction may be an important factor to influence metallicity in epitaxial ultrathin films of transition metal oxides.
关键词： ultrathin films,scanning tunneling microscopy,scanning tunneling spectroscopy,SrVO3,metallicity,surface terminations
更新于2025-09-04 15:30:14
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Atomic scale depletion region at one dimensional MoSe <sub/>2</sub> -WSe <sub/>2</sub> heterointerface
摘要： Lateral heterojunctions based on two dimensional (2D) transition metal dichalcogenides (TMDCs) potentially realize monolayer devices exploiting 2D electronic structures and the functions introduced by the presence of 1D heterointerfaces. Electronic structures of a lateral MoSe2-WSe2 junction have been unveiled using scanning tunneling microscopy and spectroscopy. A smooth and narrow depletion region exists despite a defect-rich heterointerface deviating from the preferred zigzag orientations of the TMDC lattice. From the characteristics of the depletion region, a high carrier concentration and high internal electric fields are inferred, offering to benefit designs of lateral TMDC devices.
关键词： depletion region,MoSe2-WSe2,heterointerface,scanning tunneling microscopy,scanning tunneling spectroscopy,TMDCs
更新于2025-09-04 15:30:14
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Quantitative determination of a model organic/insulator/metal interface structure
摘要： By combining X-ray photoelectron spectroscopy, X-ray standing waves and scanning tunneling microscopy, we investigate the geometric and electronic structure of a prototypical organic/insulator/metal interface, namely cobalt porphine on monolayer hexagonal boron nitride (h-BN) on Cu(111). Specifically, we determine the adsorption height of the organic molecule and show that the original planar molecular conformation is preserved in contrast to the adsorption on Cu(111). In addition, we highlight the electronic decoupling provided by the h-BN spacer layer and find that the h-BN–metal separation is not significantly modified by the molecular adsorption. Finally, we find indication of a temperature dependence of the adsorption height, which might be a signature of strongly-anisotropic thermal vibrations of the weakly bonded molecules.
关键词： hexagonal boron nitride,X-ray standing waves,X-ray photoelectron spectroscopy,cobalt porphine,Cu(111),scanning tunneling microscopy,organic/insulator/metal interface
更新于2025-09-04 15:30:14
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Formation mechanism of twin domain boundary in 2D materials: The case for WTe2
摘要： Our scanning tunneling microscopy (STM) study observes, for the first time, twin domain boundary (TDB) formations on the surface of WTe2 single crystal, which is glued by solidifying indium to Si substrate. In these TDB regions, a large inhomogeneous strain field, especially a critical shear strain of about 7%, is observed by geometric phase analysis. This observation does not obey the old believe that a small mechanical stress is sufficient to drive thermally-induced TDB formations in two-dimensional materials. To resolve the contradiction, we perform density functional theory calculations combined with elasticity theory analysis, which show that TDBs on WTe2 are entirely displacement-induced, for which a critical strain is necessary to overcome the onset barrier.
关键词： WTe2,twin domain boundary,density functional theory,strain,scanning tunneling microscopy (STM)
更新于2025-09-04 15:30:14