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DS: Fachverband Dünne Schichten
DS 31: 2D Materials Beyond Graphene III (jointly with O)
DS 31.10: Talk
Wednesday, March 22, 2017, 12:45–13:00, WIL A317
Theoretical aspects in the investigation of intrinsic magnetic order in monolayer FePS3 — •Pilkwang Kim1, Jae-Ung Lee2, Sungmin Lee1,3, Ji Hoon Ryoo1, Soonmin Kang1,3, Tae Yun Kim1, Cheol-Hwan Park1,4, Je-Geun Park1,3, and Hyeonsik Cheong2 — 1Department of Physics and Astronomy, Seoul National University (SNU), Seoul 08826, Korea — 2Department of Physics, Sogang University, Seoul 04107, Korea — 3Center for Correlated Electron Systems, Institute for Basic Science (IBS), Seoul 08826, Korea — 4Center for Theoretical Physics, Seoul National University (SNU), Seoul 08826, Korea
It has been a while since Onsager established that there can be a phase transition at a finite temperature in the two-dimensional (2D) Ising system. However, experimental verification of such long-range magnetic order has been mostly limited to the magnetism arising from extrinsic effects such as defects and chemical dopants. Bulk iron phosphorus trisulfide (FePS3) is a van der Waals material with an Ising-type antiferromagnetic order. In this presentation, we discuss the results of our first-principle calculations on the electronic structure and vibrational spectrum of monolayer FePS3. The calculations are compared with the experimental Raman spectra that exhibit several new peaks emerging below the Néel temperature. We demonstrate that the drastic changes in the Raman spectra can be understood in terms of the zone-folding effects, which suggests that monolayer FePS3 exhibits intrinsic anti-ferromagnetic order.