Seminarium "Modeling of Complex Systems"

In this talk I will explore symmetry-breaking phenomena in MnPS3/TMDC (MoS2, WS2, MoSe2, WSe2) heterostructures using first principles calculations, considering two high-symmetry stacking configurations, S1 and S2, which differ not only by their interfacial registry but also by a 30◦ twist between the layers. Depending on the stacking geometry, the systems exhibit two distinct types of nonrelativistic spin splitting (NRSS): S2 hosts altermagnetic-like band crossings, while S1 shows global spin splitting characteristic of symmetry-breaking NRSS. Magnetic exchange and anisotropy parameters indicate that the intrinsic magnetic properties of MnPS3 are largely preserved upon interfacing. Including spin–orbit coupling, we find tunable conduction-valley splitting controlled by the MnPS3 spin orientation. Results identify MnPS3 as a symmetry-tunable antiferromagnetic substrate capable of inducing and controlling spin and valley effects in 2D heterostructures without relying on net magnetization or strong SOC, offering a route toward nonvolatile valleytronic functionalities.References:[1] Wrzos, K., Birowska, M., & Rybak, M. Symmetry-Breaking Phenomena in MnPS3/TMDC Heterostructures: Nonrelativistic Spin Splitting, Altermagnetism and Spin-Valley Effects. The Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.5c08239[2] Basnet, R., Kotur, K. M., Rybak, M., Stephenson, C., Bishop, S., Autieri, C., Birowska, M., & Hu, J. (2022). Controlling magnetic exchange and anisotropy by nonmagnetic ligand substitution in layered MPX₃ (M=Ni, Mn; X=S, Se). Phys. Rev. Res., 4(2), 023256. https://doi.org/10.1103/PhysRevResearch.4.023256[3] Yuan, L.-D., Georgescu, A. B., & Rondinelli, J. M. (2024). Nonrelativistic Spin Splitting at the Brillouin Zone Center in Compensated Magnets. Phys. Rev. Lett., 133(21), 216701. https://doi.org/10.1103/PhysRevLett.133.216701[4] Rybak, M., Faria Junior, P. E., Woźniak, T., Scharoch, P., Fabian, J., & Birowska, M. (2024). Magneto-optical anisotropies of two-dimensional antiferromagnetic MPX₃ from first principles. Phys. Rev. B, 109(5), 054426. https://doi.org/10.1103/PhysRevB.109.054426

The seminar will be held in hybrid mode: in room 1.40 (FUW, Pasteura 5).During the seminar the coffee and cakes are provided. Join Zoom Meeting
https://uw-edu-pl.zoom.us/j/96378632993?pwd=MVgdPR80oKaE4pjLufb2NCtg6ql4Ax.1
Meeting ID: 963 7863 2993
Passcode: 569551