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[IEEE 2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) - Udine, Italy (2019.9.4-2019.9.6)] 2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) - ATOMOS: An ATomistic MOdelling Solver for dissipative DFT transport in ultra-scaled HfS <sub/>2</sub> and Black phosphorus MOSFETs
摘要： A state-of-the-art DFT-NEGF based ATOmistic - MOdelling Solver (ATOMOS) was developed and used to assess the physics and fundamental-performance potential of various scaled mono-layer transition-metal-dichalcogenides and black- phosphorus (BP) MOSFETs down to a gate length of 5 nm, including the effect of electron-phonon scattering. Our study highlights the good scalability and drive-current potential of HfS2 and the impact of optical-phonon scattering for BP.
关键词： DFT NEGF,CMOS,2D-material,Semiconductor Physics,Quantum transport
更新于2025-09-11 14:15:04
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Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields
摘要： Employing multi-scale in silico modeling we propose switching molecular diodes on the basis of endohedral fullerenes (fullerene switching diode, FSD), encapsulated with polar molecules of general type MX (M: metal, X: non-metal) to be used for data storage and processing. Here, we demonstrate for MX@C70 systems that the relative orientation of enclosed MX with respect to a set of electrodes connected to the system can be controlled by application of oriented external electric field(s). We suggest systems with two- and four-terminal electrodes, in which the source and drain electrodes help the current to pass through the device and help the switching between the conductive states of FSD via applied voltage. The gate electrodes then assist the switching by effectively lowering the energy barrier between local minima via stabilizing the transition state of switching process if the applied voltage between the source and drain is insufficient to switch the MX inside the fullerene. Using non-equilibrium Green’s function combined with density functional theory (DFT-NEGF) computations, we further show that conductivity of the studied MX@C70 systems depends on the relative orientation of MX inside the cage with respect to the electrodes. Therefore, the orientation of the MX inside C70 can be both enforced (“written”) and retrieved (“read”) by applied voltage. The studied systems thus behave like voltage-sensitive switching molecular diodes, that is a reminiscent of a molecular memristor.
关键词： molecular diodes,DFT-NEGF,data storage,fullerene,electric fields
更新于2025-09-11 14:15:04