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Regensburg 2019 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 94: 2D Materials V: Novel Systems

O 94.8: Vortrag

Freitag, 5. April 2019, 12:15–12:30, H9

Theoretical investigation on the magnetic properties of atomically-thin NiPS3 — •Tae Yun Kim and Cheol-Hwan Park — Department of Physics, Seoul National University, Seoul 08826, Korea

Since the discovery of ferromagnetism in atomically-thin crystals [1, 2], the so-called magnetic van der Waals (vdW) materials have attracted much attention from the community of condensed-matter scientists [3]. Transition metal phosphorus trisulfide (TMPS3) family is a group of antiferromagnetic vdW materials with very interesting characters. A recent Raman experiment on FePS3 showed the existence of (Ising-type) antiferromagnetic order in a real two-dimensional crystal [4]. In this presentation, we will focus on NiPS3, which exhibits quite different magnetic properties compared to FePS3. We discuss the magnetic properties of atomically-thin NiPS3 based on our recent first-principles density-functional-theory calculations on the electronic and vibrational properties and compare our results with recent experiments.

[1] B. Huang, G. Clark, E. Navarro-Moratalla, D. R. Klein, R. Cheng, K. L. Seyler, D. Zhong, E. Schmidgall, M. A. McGuire, D. H. Cobden, W. Yao, D. Xiao, P. Jarillo-Herrero, and X. Xu, Nature 546, 270-273 (2017) [2] C. Gong, L. Li, Z. Li, H. Ji, A. Stern, Y. Xia, T. Cao, W. Bao, C. Wang, Y. Wang, Z. Q. Qiu, R. J. Cava, S. G. Louie, J. Xia, and X. Zhang, Nature 546, 265-269 (2017) [3] K. S. Burch, D. Mandrus, and J.-G. Park, Nature 563, 47-52 (2018) [4] J.-U. Lee, S. Lee, J. H. Ryoo, S. Kang, T. Y. Kim, P. Kim, C.-H. Park, J.-G. Park, and H. Cheong, Nano Lett., 16 7433-7438 (2016)

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