Fig. 2: Electronic transport simulations at short electrode-BN distances. | npj 2D Materials and Applications

Fig. 2: Electronic transport simulations at short electrode-BN distances.

From: Origin of large variations of current on/off ratio and switching voltage in atomically thin memristors: an exascale ab initio transport study

Fig. 2: Electronic transport simulations at short electrode-BN distances.

a Atomic structure of the Au/h-BN/Au device at the equilibrium electrode-BN distance of 3.20 Å. Due to a boron vacancy in h-BN, an Au atom spontaneously moves towards the B vacancy to act as a conductive bridge, so the system is set to a low-resistance state (LRS). b Calculated I–V curve of the device at the LRS at the 3.20 Å distance. At a distance of 3.53 or 4.77 Å, the device assumes either a high-resistance state (HRS) shown in (c) or LRS in (d), depending on the atomic configurations. Calculated I–V curves under different states at a distance of e 3.53 Å and f 4.77 Å. Here, the switching behavior at the SET/RESET voltage is not simulated. The device area in one unit cell is 2.62 nm2.

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