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Switching processes of carbon-based resistive memory cells are simulated on a fully atomistic level by the molecular dynamics (MD) method and the Extended-Hu??ckel-Theory-based Non Equilibrium Green's Function (EHT-NEGF) method. Graphitic filament breakage and re-growth are found to be responsible for the switching of resistance of carbon-based memory. Key parameters that affect the switching speed...
The extended huckel theory (EHT)-based NEGF method is applied to perform atomistic quantum transport simulation of Schottky and ohmic metal-GNR contacts with different metal electrodes. Effects induced by changing the GNR orientation or the number of graphene layers are discussed. The interface dipole due to the polarization of chemical bond is found to have a significant impact on the contact behavior.
Nanoelectronic devices can be, in one way, characterized by the large surface/volume ratio in addition to the central role of quantum effects. This paper describes a computationally efficient way of obtaining the band-structure of the intrinsic device including the interface with metal contacts using the extended Huckel theory (EHT). Carrier quantum transport is then computed by NEGF (non-equilibrium...
A comparative study of graphene nanoribbon MOSFET (GNR-FET) using the extended Huckel theory (EHT) and tight-binding (TB) is conducted within the frame of the self-consistent ballistic non-equilibrium Greenpsilas function (NEGF) formalism. The bandgap variation in armchair-edged GNR (aGNR) induced by the length of the edge bond, as well as the transport characteristics with bond length relaxation,...
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