Regensburg 2025 – scientific programme
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O: Fachverband Oberflächenphysik
O 64: Focus Session Atomic Scale Investigation of Magnetic 2D Materials
O 64.8: Talk
Wednesday, March 19, 2025, 17:45–18:00, H2
Non-van der Waals 2D Materials: Magnetic State Control — •Tom Barnowsky1,2 and Rico Friedrich1,2,3 — 1TU Dresden — 2Helmholtz-Zentrum Dresden-Rossendorf — 3Duke University, Durham, USA
Non-van der Waals (non-vdW) 2D materials – exfoliated from non-layered bulk structures [1] – offer unique opportunities for exploring magnetic properties and their surface-assisted manipulation.
In recent data-driven studies [2,3], we predict several dozen exfoliable candidates. Many of these materials exhibit intrinsic magnetism, notably due to magnetic surface cations, which lead to strong surface spin polarization. Furthermore, the exposed “dangling” bonds at their surfaces – created by bond breaking during exfoliation from the bulk – enable passivation that can significantly modify their electronic and magnetic properties [4]. This passivation-based tuning can, for example, switch the magnetic state of these materials, i.e., alter their local spin symmetry. Most notably, non-vdW 2D CdTiO3 – a diamagnetic compound in its pristine form – becomes ferromagnetic upon hydrogenation. Using data mining and autonomous density functional theory, we demonstrate the potential of these materials as a powerful platform for magnetic state control, opening new possibilities for spintronics.
[1] A. Puthirath Balan et al., Nat. Nanotechnol. 13, 602 (2018).
[2] R. Friedrich et al., Nano Lett. 22, 989 (2022).
[3] T. Barnowsky et al., Adv. Electron. Mater. 9, 2201112 (2023).
[4] T. Barnowsky et al., Nano Lett. 24, 3874 (2024).
Keywords: 2D materials; non-van der Waals compounds; passivation; magnetism; high-throughput computing