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Using density-functional theory calculations, the atomic and electronicstructure of single-layer WS_2 attached to Zr and Co contacts are determined.Both metals form stable interfaces that are promising as contacts for injectionof n-type carriers into the conduction band of WS_2 with Schottky barriers of0.45eV and 0.62eV for Zr and Co, respectively. With the help of quantumtransport calculations, we address the conductive properties of a free-standingWS_2 sheet suspended between two Zr contacts. It is found that such a devicebehaves like a diode with steep I-V characteristics. Spin-polarized transportis calculated for such a device with a floating-gate Co electrode added.Depending on the geometrical shape of the Co gate and the energy of thecarriers in WS_2, the transmission of spin majority and minority electrons maydiffer by up to an order of magnitude. Thus the steep I-V characteristics ofthe nanoscale device makes it possible to realize a spin filter.

physical review. b./physical review. b

Ab initio simulation of the structure and transport properties of  zirconium and ferromagnetic cobalt contacts on the two-dimensional  semiconductor WS_2