Regensburg 2022 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
O: Fachverband Oberflächenphysik
O 6: Nanostructures at Surfaces 1
O 6.8: Vortrag
Montag, 5. September 2022, 12:15–12:30, S052
Peierls distortion and charge density waves in novel exfoliable 1D materials — •Chiara Cignarella1, Davide Campi2, and Nicola Marzari1 — 1THEOS and MARVEL, EPFL, Lausanne, Switzerland — 2Universita di Milano Bicocca, Milano, Italy
One-dimensional materials are extremely attractive due to their unique electronic properties and potentialities in next-generation applications. A high-throughput screening has provided a portfolio of more than 800 novel 1D/quasi-1D materials exfoliable from the 3D Van der Waals compounds, 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 at finite wavevectors. Here, we analyse the stability of this novel class of materials, identifying the reconstructed stable superstructure from the phonon modes. In order to get more insight into the mechanism of the CDW, we then investigate the nesting function and the critical role of the electron-phonon coupling, still unexplored in real quasi-1D systems.