Dresden 2026 – scientific programme
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HL: Fachverband Halbleiterphysik
HL 51: 2D Materials: Stacking and heterostructures (joint session O/HL/TT)
HL 51.4: Talk
Friday, March 13, 2026, 10:15–10:30, HSZ/0401
Designing 2D Non-van der Waals Heterostructures — •Anastasiia Nihei1,2, Tom Barnowsky1,2, and Rico Friedrich1,2 — 1TU Dresden — 2Helmholtz-Zentrum Dresden-Rossendorf
Heterostructure interfaces created by stacking two-dimensional (2D) materials offer a pathway to realizing advanced electronic and magnetic functionalities at the nanoscale. In this work, we present a high-throughput screening of non-van der Waals (non-vdW) 2D heterostructures; including sandwich-like stacking. Non-van der Waals 2D materials can be obtained by both top-down exfoliation as well as bottom-up growth approaches of non-layered bulk crystals [1]. Our approach uses the AFLOW-Hetbuilder - a newly developed tool for stacking 2D systems based on the coincidence lattice algorithm [2-4].
We investigate interfacial binding effects across a wide range of heterobilayers [5] and sandwich-like systems, analyzing their structural, electronic, and magnetic characteristics such as hybrid interface bands and robust magnetic coupling. Furthermore, we compare the binding energetics of non-vdW and conventional vdW heterostructures. The tunable interfacial properties of non-vdW 2D heterostructures provide a versatile platform for advanced functionalities with potential applications in electronics, spintronics, and the energy sector [5].
[1] R. Friedrich et al., Nano Lett. 22, 989, (2022).
[2] D.S. Koda et al., J. Phys. Chem. C 120, 10895, (2016).
[3] https://zenodo.org/record/4721346 .
[4] S. Divilov et al., High Entropy Alloys Mater. 3, 178 (2025).
[5] A. Nihei, et al., arXiv DOI: 10.48550/arXiv.2503.12209 (2025).
Keywords: 2D materials; Heterostructures; Non-van der Waals materials; High-throughput; Data-driven design