Looking for metallic states in novel exfoliable 1D materials

One-dimensional materials are extremely attractive due to their unique electronic properties and potential for next-generation applications. A high-throughput screening of experimental inorganic materials has provided a portfolio of more than 800 novel 1D/quasi-1D materials exfoliable from their 3D parent compound, out of which we select a dataset of metallic chains as possible candidates for vias and interconnects. Often, their low-dimensional nature leads to dynamical instabilities in the form of Peierls distortions or charge-density waves (CDW), which drive structural phase transitions. Here, we analyse the stability of these novel materials, identifying the reconstructed stable superstructures from the phonon instabilities. Several interesting behaviors emerge - from Peierls metal-insulator transitions to the emergence of Dirac cone semimetals. In order to get more insight into the mechanisms of the CDW, we investigate the nesting function and the critical role of the electron-phonon coupling, still largely unexplored in realistic quasi-1D systems.