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MA: Fachverband Magnetismus

MA 46: Surface Magnetism

MA 46.11: Vortrag

Freitag, 21. März 2025, 12:15–12:30, H19

Tailoring magnetism in a 2D Van der Waals material with a chemical approach for magnonic applications — •Sourav Dey, Gonzalo Rivero, and José Baldoví — ICMol, University of Valencia, Valencia, Spain

The discovery of two-dimensional (2D) magnets offers an ideal platform for magnonics and spintronics at the limit of miniaturization given their high flexibility and tunability.The magnetic properties of this family of materials have been tuned by several approaches such as strain engineering, atomic layer substitution, or molecular deposition, among others. In the latter case, the effect of organometallic/inorganic complexes on the magnetic properties of 2D magnetic materials is still unexplored. To investigate this, we have selected two molecular qubits (quantum bits) with long coherence time such as CpTiCOT (Cp = η5-cyclopentadienyl, COT = η8-cyclooctatetraene) and VOPc (Pc = phthalocyanine) which are proved to be stable after the deposition on metallic substrate. Here, we analyze and interpret the magnetic properties of single-layer CrSBr after deposition of CpTiCOT and VOPc, via first-principles calculations. Our results predict a significant modulation of magnetic exchange in CrSBr after deposition due to the significant charge transfer from the molecules to 2D material, allowing us to corroborate both properties. Furthermore, a significant change in the magnon frequencies and group velocities was observed, which opened new avenues in designing smart molecular/2D materials where magnons can be fine-tuned by a chemical approach.

Keywords: Magnetism; 2D materials; qubit; first principles; magnon