0D/1D organic ferroelectrics/multiferroics for ultrahigh density integration: Helical hydrogen-bonded chains,...

In recent years, room-temperature ferroelectricity has been experimentally confirmed in a series of two-dimensional (2D) materials. Theoretically, for isolated ferroelectricity in even lower dimensions such as 1D or 0D, the switching barriers may still ensure the room-temperature robustness for ultrahigh-density non-volatile memories, which has yet been scarcely explored. Here, we show ab initio designs of 0D/1D ferroelectrics/multiferroics based on functionalized transition-metal molecular sandwich nanowires (SNWs) with intriguing properties. Some functional groups such as -COOH will spontaneously form into robust threefold helical hydrogen-bonded chains around SNWs with considerable polarizations. Two modes of ferroelectric switching are revealed: when the ends of SNWs are not hydrogen-bonded, the polarizations can be reversed via ligand reorientation that will reform the hydrogen-bonded chains and alter their helicity; when both ends are hydrogen-bonded, the polarizations can be reversed via proton transfer without changing the helicity of chains. The combination of those two modes makes the system the smallest proton conductor with a moderate migration barrier, which is lower compared with many prevalent proton-conductors for higher mobility while still ensuring the robustness at ambient conditions. This desirable feature can be utilized for constructing nanoscale artificial ionic synapses that may enable neuromorphic computing. In such a design of synaptic transistors, the migration of protons through those chains can be controlled and continuously change the conductance of MXene-based post-neuron for nonvolatile multilevel resistance. The success of mimicking synaptic functions will make such designs promising in future high-density artificial neutral systems.