Swiss Scientific Landscape
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Artistic sketch of future envisaged applications for carbon based nanomaterials. On the left 1D nanomaterials that are fabricated in the nanotech@surfaces Laboratory of Empa when transferred to the Transport at Nanoscale Interfaces Laboratory are integrated into prototypical devices (image credit M. L. Perrin, Empa). Both fabrication process and integration into devices require simulations of the structural and electronic properties of the novel nanomaterials in gas phase and on substrates. On the right, magnetic carbon-based nanomaterials are produced with engineered exchange coupling (image credit P. Ruffieux, Empa). The magnetic properties of the nanomagnets are measured via single spin electron paramagnetic resonance spectroscopy (STM-EPR). Simulation frameworks to complement the experiments will be developed.
Related publications (until January 2023)
- N. Biniskos, F. J. dos Santos, K. Schmalzl, S. Raymond, M. dos Santos Dias, J. Persson, N. Marzari, S. Blügel, S. Lounis, T. Brückel, Complex magnetic structure and spin waves of the noncollinear antiferromagnet Mn_5Si_3, Physical Review B 105, 104404 (2022). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Marzari / Project(s): OSP, P4 - D. Campi, N. Mounet, M. Gibertini, G. Pizzi, N. Marzari, Novel materials in the Materials Cloud 2D database, arXiv:2210.11301 (2022). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Marzari, Pizzi / Project(s): P3, P4, DD3 - F. J. dos Santos, N. Marzari, Fermi energy determination for advanced smearing techniques, arXiv:2212.07988 (2022). [Open Access URL]
Group(s): Marzari / Project(s): OSP, P4 - M. dos Santos Dias, N. Biniskos, F. J. dos Santos, K. Schmalzl, J. Persson, F. Bourdarot, N. Marzari, S. Blügel, T. Brückel, S. Lounis, Topological magnons driven by the Dzyaloshinskii-Moriya interaction in the centrosymmetric ferromagnet Mn_5Ge_3, arXiv:2211.16925 (2022). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Marzari / Project(s): P4 - L. Gigli, M. Veit, M. Kotiuga, G. Pizzi, N. Marzari, M. Ceriotti, Thermodynamics and dielectric response of BaTiO_3 by data-driven modeling, npj Computational Materials 8, 209 (2022). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Ceriotti, Marzari, Pizzi / Project(s): P2, P3, P4 - M. Kotiuga, S. Halilov, B. Kozinsky, M. Fornari, N. Marzari, G. Pizzi, Microscopic picture of paraelectric perovskites from structural prototypes, Physical Review Research 4, L012042 (2022). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Marzari, Pizzi / Project(s): P3, P4, OSP