Quantum hybridization negative differential resistance from non-toxic halide perovskite nanowire heterojunctions and its strain control

While low-dimensional organometal halide perovskites are expected to open up new opportunities for a diverse range of device applications, like in their bulk counterparts, the toxicity of Pb-based halide perovskite materials is a significant concern that hinders their practical use. We recently predicted that lead triiodide (PbI3) columns derived from trimethylsulfonium (TMS) lead triiodide (CH3)(3)SPbI3 (TMSPbI3) by stripping off TMS ligands should be semimetallic, and additionally ultrahigh negative differential resistance (NDR) can arise from the heterojunction composed of a TMSPbI3 channel sandwiched by PbI3 electrodes. Herein, we computationally explore whether similar material and device characteristics can be obtained from other one-dimensional halide perovskites based on non-Pb metal elements, and in doing so deepen the understanding of their mechanistic origins. First, scanning through several candidate metal halide inorganic frameworks as well as their parental form halide perovskites, we find that the germanium triiodide (GeI3) column also assumes a semimetallic character by avoiding the Peierls distortion. Next, adopting the bundled nanowire GeI3-TMSGeI3-GeI3 junction configuration, we obtain a drastically high peak current density and ultrahigh NDR at room temperature. Furthermore, the robustness and controllability of NDR signals from GeI3-TMSGeI3-GeI3 devices under strain are revealed, establishing its potential for flexible electronics applications. It will be emphasized that, despite the performance metrics notably enhanced over those from the TMSPbI3 case, these device characteristics still arise from the identical quantum hybridization NDR mechanism.

Automated summary

This study explores the material and device characteristics of low-dimensional organometal halide perovskites. It is found that lead triiodide columns can be made semimetallic, and heterojunctions with ultrahigh negative differential resistance can be formed. Additionally, similar characteristics can also be obtained from germanium triiodide, showing potential for flexible electronics applications.