21–23 May 2025
Belgrade
Europe/Belgrade timezone

Borophenes: Tuning Superconducting Properties via Hydrogenation and Intercalation, and Stabilizing 2D Magnetic Nanostructures

22 May 2025, 16:15
15m
Science Technology Park (Belgrade)

Science Technology Park

Belgrade

Veljka Dugosevica 54, 11050 Belgrade, Serbia
Oral 1. Microscopic modeling of 2D magnetism from first-principles thursday afternoon

Speaker

Božidar N. Šoškić (Faculty of Natural Sciences and Mathematics, University of Montenegro & Department of Physics & NANOlab Center of Excellence, University of Antwerp)

Description

Borophene, a two-dimensional (2D) allotrope of boron, exhibits exceptional physical and chemical properties, positioning it as a promising candidate for various practical applications, potentially surpassing graphene [1]. However, its high reactivity and susceptibility to oxidation under ambient conditions present significant challenges. Strategies such as hydrogenation of monolayer [3] and fabrication of bilayer configurations [4] have been proposed to address these issues. Through density functional perturbation theory (DFPT) and anisotropic Migdal-Eliashberg equations, we have identified these configurations as promising superconducting candidates, with hydrogenated $\beta_{12}$ monolayer achieving superconducting critical temperature ($T_C$) of approximately 29 K [5], and alkaline-earth metal-intercalated bilayers reaching $T_C$ up to 58 K [6]. These findings further elucidate the absence of superconductivity in bare monolayer borophene, aligning well with experimental observations, and highlighting the role of hydrogenation and intercalation in enhancing and tuning its superconducting properties. Furthermore, by using the spin-dependent density functional theory (SDFT) and the anisotropic Heisenberg model, we explored $\beta_{12}$ borophene as an ideal platform for stabilization of iron-based 2D magnets, revealing long-range magnetic order due to direct $d$-orbital interactions and superexchange mechanisms [7]. To overcome oxidation challenges, manganese-intercalated bilayer $\beta_{12}$ borophene emerges as a robust solution, maintaining stability and magnetic tunability [8]. These insights position borophene-based materials as versatile platforms for next-generation 2D superconducting and spintronic devices.

References

  1. Prashant Kumar et al., The rise of borophene, Progress in Materials Science 146, 101331 (2024).
  2. Xiaolong Liu et al., Probing borophene oxidation at the atomic scale, Nanotechnology 33, 235702 (2022).
  3. Qiucheng Li et al., Synthesis of borophane polymorphs through hydrogenation of borophene, Science 371, 1143-1148 (2021).
  4. Caiyun Chen et al., Synthesis of bilayer borophene, Nature Chemistry 14, 25-31 (2022).
  5. Božidar N. Šoškić et al., Enhanced Superconductivity of Hydrogenated $\beta_{12}$ Borophene, Nano Letters 24, 12650-12657 (2024).
  6. Božidar N. Šoškić et al., First-principles exploration of superconductivity in intercalated bilayer borophene phases, Physical Review Materials 8, 064803 (2024).
  7. Božidar N. Šoškić et al., Ab-initio and Monte Carlo study of Fe-based two-dimensional magnets at borophene supported by Ag(111) surface, Physical Review Materials 5, 074001 (2021).
  8. Božidar N. Šoškić et al., Microscopic origin of magnetism in Mn-intercalated bilayer $\beta_{12}$ borophene - Manuscript in preparation (2025).

Primary author

Božidar N. Šoškić (Faculty of Natural Sciences and Mathematics, University of Montenegro & Department of Physics & NANOlab Center of Excellence, University of Antwerp)

Co-authors

Cem Sevik (Department of Physics & NANOlab Center of Excellence, University of Antwerp) Denis Šabani (Department of Physics & NANOlab Center of Excellence, University of Antwerp) Jonas Bekaert (Department of Physics & NANOlab Center of Excellence, University of Antwerp) Milorad V. Milošević (Department of Physics & NANOlab Center of Excellence, University of Antwerp) Predrag Miranović (Faculty of Natural Sciences and Mathematics, University of Montenegro) Srdjan Stavrić (Vinča Institute of Nuclear Sciences, National Institute of the Republic of Serbia, University of Belgrade) Željko Šljivančanin (Vinča Institute of Nuclear Sciences, National Institute of the Republic of Serbia, University of Belgrade)

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