  Investigating the underlying physical mechanism for electric-field induced
resistive switching in Au/MoS2/Au based memristive devices by combining
computational techniques such as reactive molecular dynamics and
first-principle quantum transport calculations. From reactive molecular
dynamics study we clearly observe a formation of conductive filament of gold
atoms from the top electrode on to the 2D MoS2 layer. This state was described
the onset of low-resistance state from the initial high-resistance state. To
further understand the switching mechanism in the device we deploy
first-principle calculations where we see an electron channel being formed
during the filament formation leading to the low-resistance state of the
device. MoS2 with single defect gives rise to a conductance ratio of LRS to the
initial structure is 63.1336 and that of the LRS to HRS is 1.66.
