November 22, 2023
PSI Villigen
Europe/Zurich timezone

Pressure tuning and Evolution of Structural, Magnetic and Electronic Properties in TMPX3 van-der-Waals Compounds

Nov 22, 2023, 1:30 PM
Auditorium (WHGA) (PSI Villigen)

Auditorium (WHGA)

PSI Villigen


Shiyu Deng (University of Cambridge)


Control of dimensionality in condensed matter continues to reveal novel quantum phenomena and effects. Transition metal phosphorous trichalcogenides TM P X 3 (TM = Mn, Fe, Ni, V, etc., X = S, Se) have proven to be ideal examples where structural, magnetic and electronic properties evolve into novel states when their dimensionality is tuned with pressure. At ambient pressure, they are two-dimensional van-der-Waals antiferromagnets with strongly correlated physics. Our recent experimental studies [1-4] have shown dimensionality crossover related pressure-induced insulator-to-metal transitions and novel magnetic phases in FePS3. To elucidate the relationship between structural transitions, magnetism and electronic properties, we also performed a random structure search using first-principles calculations at high pressures and DFT+U studies [5]. We experimentally explored the coexistence of the low- and intermediate-pressure phases, and we predict a novel high-pressure phase with distinctive dimensionality and possible options for interpreting the origins of metallicity.
We will also present our most recent single-crystal high-pressure synchrotron X-ray study on crystalline structures and the high-pressure neutron scattering study on magnetic structures of FePSe3, a similar compound to FePS3 with reported high-pressure induced superconductivity occurring at 2.5 K and 9.0 GPa [6]. The new work performed at the DIAMOND light source and Institut Laue Langevin finally provides clear crystallographic assignments related to phases which emerge with the application of pressure.

[1] C. R. S. Haines, et al., Phys. Rev. Lett., 121, 266801 (2018).
[2] M. J. Coak, et al., J. Phys. Condens. Matter, 32, 124003 (2020).
[3] M. J. Coak, et al., Phys. Rev. X, 11, 011024 (2021).
[4] D. M. Jarvis, et al., Phys. Rev. B, 107, 54106 (2023).
[5] S. Deng, et al., SciPost Phys. 15, 020 (2023).
[6] Y. Wang, et al., Nat. Commun. 9, 1914 (2018).

Primary author

Shiyu Deng (University of Cambridge)


Dr Charles R. S. Haines (University of Cambridge; University of East Anglia) Dr Matthew J. Coak (University of Cambridge; University of Birmingham) Dr Hayrullo Hamidov (University of Cambridge;Navoi State University of Mining and Technologies) Dr Dominik Daisenberger (Diamond Light Source) Dr Mark Warren (Diamond Light Source) Mr Cheng Liu (University of Cambridge) Mr Xiaotian Zhang (University of Cambridge) Dr David M. Jarvis (University of Cambridge; nstitut Laue-Langevin) Dr Andrew Wildes (Institut Laue-Langevin) Prof. Emilio Artacho (University of Cambridge; CIC Nanogune BRTA and DIPC; Ikerbasque, Basque Foundation for Science) Dr Siddharth S Saxena (University of Cambridge; British Management University)

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