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Register a new userMechanism of Fermi Level Pinning at Metal/Germanium Interfaces
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The physical origin of Fermi level pinning (FLP) at metal/Ge interfaces has been argued over a long period. Using the Fe$_{3}$Si/Ge(111) heterostructure developed originally, we can explore electrical transport properties through atomically matched metal/Ge junctions. Unlike the conventional metal/$p$-Ge junctions reported so far, we clearly observe rectifying current-voltage characteristics with a measurable Schottky barrier height, depending on the contact area of the Fe$_{3}$Si/Ge(111) junction. These results indicate that one should distinguish between intrinsic and extrinsic mechanisms for discussing the formation of the Schottky barrier at metal/Ge interfaces. This study will be developed for understanding FLP for almost all the metal/semiconductor interfaces.
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It is demonstrated that the electric dipole layer due to the overlapping of electron wavefunctions at metal/graphene contact results in negative Fermi-level pinning effect on the region of GaAs surface with low interface-trap density in metal/graphene/n-GaAs(001) junction. The graphene interlayer takes a role of diffusion barrier preventing the atomic intermixing at interface and preserving the low interface-trap density region. The negative Fermi-level pinning effect is supported by the Schottky barrier decreasing as metal work-function increasing. Our work shows that the graphene interlayer can invert the effective work-function of metal between $high$ and $low$, making it possible to form both Schottky and Ohmic-like contacts with identical (particularly $high$ work-function) metal electrodes on a semiconductor substrate possessing low surface-state density.
Two-dimensional (2D) semiconductors have shown great promise in (opto)electronic applications. However, their developments are limited by a large Schottky barrier (SB) at the metal-semiconductor junction (MSJ), which is difficult to tune by using conventional metals due to the strong Fermi level pinning (FLP) effect. Here we show that, this problem can be overcome by using 2D metals, which are bounded with 2D semiconductors through van der Waals (vdW) interaction. This success relies on a weak FLP at the vdW MSJ, which is attributed to the suppression of metal-induced gap states. Consequently, the SB becomes tunable and can vanish with proper 2D metals (e.g. H-NbS2). This work not only offers new insights into the fundamental properties of heterojunctions, but also uncovers great potential of 2D metals in device applications.
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. In this work, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally-tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by construction captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, both the level alignment and work function changes. Our approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.
Graphene based transistors relying on a conventional structure cannot switch properly because of the absence of an energy gap in graphene. To overcome this limitation, a barristor device was proposed, whose operation is based on the modulation of the graphene-semiconductor (GS) Schottky barrier by means of a top gate, and demonstrating an ON-OFF current ratio up to $10^5$. Such a large number is likely due to the realization of an ultra clean interface with virtually no interface trapped charge. However, it is indeed technologically relevant to know the impact that the interface trapped charges might have on the barristors electrical properties. We have developed a physics based model of the gate tunable GS heterostructure where non-idealities such as Fermi Level Pinning (FLP) and a bias dependent barrier lowering effect has been considered. Using the model we have made a comprehensive study of the barristors expected digital performance.
A combination of micro-Raman spectroscopy and micro-XPS (X-ray photo-electron spectroscopy) mapping on statically deflected p-type silicon cantilevers is used to study the mechanical stress dependence of the Fermi level pinning at an oxidized silicon (001) surface. With uniaxial compressive and tensile stress applied parallel to the $langle$110$rangle$ crystal direction, the observations are relevant to the electronic properties of strain-silicon nano-devices with large surface-to-volume ratios such as nanowires and nanomembranes. The surface Fermi level pinning is found to be even in applied stress, a fact that may be related to the symmetry of the Pb$_0$ silicon/oxide interface defects. For stresses up to 160 MPa, an increase in the pinning energy of 0.16 meV/MPa is observed for compressive stress, while for tensile stress it increases by 0.11 meV/MPa. Using the bulk, valence band deformation potentials the reduction in surface band bending in compression (0.09 meV/MPa) and in tension (0.13 meV/MPa) can be estimated.
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