Strongly correlated physics in organic open-shell quantum systems

Autor: Gandus, G., Passerone, D., Stadler, R., Luisier, M., Valli, A.

Strongly correlated physics arises due to electron-electron scattering within partially-filled orbitals, and in this perspective, organic molecules in open-shell configuration are good candidates to exhibit many-body effects. With a focus on neutral

Externí odkaz: http://arxiv.org/abs/2301.00282

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Ab initio quantum transport simulations of defective devices based on 2-D materials via a projected-GW approach

Autor: Gandus, G., Cao, J., Agarwal, T., Luisier, M., Lee, Y.

Publikováno v: 2022 International Electron Devices Meeting (IEDM)

We propose a novel ab inito defect modeling framework for devices based on two-dimensional (2-D) transition-metal dichalcogenide (TMDC) monolayers. The so-called projected (p)- GW method is combined with density functional theory and incorporated int

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5677587917fd9100605b2ac3181edbdd
https://doi.org/10.1109/iedm45625.2022.10019510

Edge Contacts to Atomically Precise Graphene Nanoribbons.

Autor: Huang W; Transport at Nanoscale Interfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland.; Department of Physics, University of Basel, 4056 Basel, Switzerland., Braun O; Transport at Nanoscale Interfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland.; Department of Physics, University of Basel, 4056 Basel, Switzerland., Indolese DI; Department of Physics, University of Basel, 4056 Basel, Switzerland., Barin GB; nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland., Gandus G; nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland.; Department of Information Technology and Electrical Engineering, ETH Zurich, 8092 Zurich, Switzerland., Stiefel M; Transport at Nanoscale Interfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland., Olziersky A; IBM Research - Zurich, 8803 Rüschlikon, Switzerland., Müllen K; Max Planck Institute for Polymer Research, 55128 Mainz, Germany., Luisier M; Department of Information Technology and Electrical Engineering, ETH Zurich, 8092 Zurich, Switzerland.; Quantum Center, ETH Zürich, 8093 Zürich, Switzerland., Passerone D; nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland., Ruffieux P; nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland., Schönenberger C; Department of Physics, University of Basel, 4056 Basel, Switzerland., Watanabe K; Research Center for Electronic and Optical Materials, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan., Taniguchi T; Research Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan., Fasel R; nanotech@surfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland.; Department of Chemistry, Biochemistry and Pharmaceutical Science, University of Bern, 3012 Bern, Switzerland., Zhang J; Transport at Nanoscale Interfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland., Calame M; Transport at Nanoscale Interfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland.; Department of Physics, University of Basel, 4056 Basel, Switzerland.; Swiss Nanoscience Institute, University of Basel, 4056 Basel, Switzerland., Perrin ML; Transport at Nanoscale Interfaces Laboratory, Empa, Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland.; Department of Information Technology and Electrical Engineering, ETH Zurich, 8092 Zurich, Switzerland.; Quantum Center, ETH Zürich, 8093 Zürich, Switzerland.

Publikováno v: ACS nano [ACS Nano] 2023 Oct 10; Vol. 17 (19), pp. 18706-18715. Date of Electronic Publication: 2023 Aug 14.

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