Advanced Methods of Semiconductor Research Seminar – Tuesday 6th of May 2025
We cordially invite you to Advanced Methods of Semiconductor Research Seminar on Tuesday 6th of May 2025 at 13:15 in room 321, building A-1, where there will be delivered a lecture:
Theoretical studies of van der Waals magnets from the MPS₃ family combined with ARPES experiments
by Miłosz Rybak
from Department of Semiconductor Materials Engineering, Wrocław Tech
Lecture abstract:
Van der Waals (vdW) magnetic materials from the MPS₃ family (M = Mn, Ni, Co, Fe) have recently attracted significant attention due to their intrinsic low-dimensional magnetism [1,2] making them promising candidates for applications in spintronics, magneto-optical devices and magnetic sensors. A key factor influencing their physical properties is the role of electronic correlations, which strongly affect their magnetic, optical, and transport behavior [3]. In this talk, I will present a first-principles investigation of these materials, employing density functional theory with Hubbard corrections (DFT+U) to explore their electronic structure and its connection to spectroscopic experiments. By systematically comparing my theoretical results with photoemission spectroscopy (ARPES [4,5]), I will assess how well DFT+U captures the experimentally observed features. By contrasting DFT+U predictions with experimental findings and insights from the cluster calculations, I aim to provide a deeper understanding of the role of electronic correlations in these systems. This comparative study will highlight the strengths and shortcomings of DFT-based methods in modeling correlated vdW magnets and outline potential directions for improving theoretical descriptions of these materials.
[1] M. Rybak, P.E. Faria Junior, T. Woźniak, et al., Physical Review B 109 (5), 054426
[2] R. Basnet, K.M. Kotur, M. Rybak, et. al, Physical Review Research 4 (2), 023256
[3] C. Autieri, G. Cuono, C. Noce, M. Rybak, et al., The Journal of Physical Chemistry C 126 (15), 6791-6802
[4] J. Strasdas, B. Pestka, M. Rybak, et al., Nano Letters 23 (22), 10342-1034
[5] B. Pestka, B. Bhattacharyya, M. Rybak, et al.,’Probing the band structure of the correlated antiferromagnet NiPS3 across its phase transition’, under review
