Transition-metal phosphorus trisulfides

MPS₃ (M = Mn, Fe, Co, Ni); selenide analogues MPSe₃

Also called MnPS₃, FePS₃, NiPS₃, metal thiophosphates

van der Waals crystal magnet

A family of antiferromagnetic insulators in which one crystal structure hosts three textbook types of magnet depending only on the metal: Ising-like (FePS3), Heisenberg-like (MnPS3) and XY-like (NiPS3). That makes them a natural laboratory for testing how magnetism changes when a crystal is thinned to a single layer – and they are more air-stable than most 2D magnets.

Crystal structure

  • S
  • P
  • Fe
Cell
Rectangular, a = 5.93 Å, b = 10.28 Å
Atoms per cell
20
Fe–S bonds
2.54–2.56 Å
P–S bond
2.03 Å
P–P bond
2.21 Å
Height
3.21 Å between the outer atom centres
Iron atoms form a honeycomb, each in an octahedron of sulfur. At the centre of every hexagon sits a pair of phosphorus atoms bonded to each other straight through the layer, each also bonded to three sulfur – a [P2S6]4− unit. MnPS3, NiPS3 and the other members build the same layer around a different metal, and the metal decides how the magnetic moments order. One layer of bulk FePS3 (Klingen, Eulenberger and Hahn, Zeitschrift für anorganische und allgemeine Chemie 401, 97, 1973; COD 1527654): a = 5.93 Å, b = 10.28 Å.

Key properties

  • Bulk Néel temperatures of ~118 K (FePS3), ~155 K (NiPS3) and ~78 K (MnPS3)
  • FePS3 keeps Ising-type antiferromagnetic order down to the monolayer
  • Magnetic order in NiPS3 is suppressed in the monolayer, consistent with XY-type anisotropy
  • NiPS3 hosts an extremely narrow exciton near 1.47 eV linked to its spin order
  • Iron and nickel mix: (Fe1−xNix)2P2S6 stays an Ising-type antiferromagnet all the way to x = 0.9, and the anisotropy changes abruptly to the XXZ-type behaviour of NiPS3 only at the nickel end
  • In NiPS3 the magnetic susceptibility peaks broadly near 260 K, about 100 K above the Néel temperature; 31P NMR ties this maximum to quasi-two-dimensional spin correlations
  • Wide band gaps and comparatively good air stability

How it is made

  • Vapour-transport growth from the elements, often with iodine
  • Mixed (Fe1−xNix)2P2S6 crystals across the series by the same vapour transport
  • Mechanical exfoliation
  • CVD growth reported for some members

Uses, and how close they are

  • Antiferromagnetic spintronics and magnonicslab
  • Photo- and electrocatalysis (NiPS3, FePS3)lab
  • Ultraviolet photodetectors (MnPS3)lab

Readiness runs lab → prototype → pilot → deployed.

Open problems

  1. How exactly does XY-type order in NiPS3 vanish at the monolayer – is there a Berezinskii–Kosterlitz–Thouless-like regime?
  2. What is the microscopic nature of the spin-correlated exciton in NiPS3?
  3. Can antiferromagnetic order in insulating layers be read and written electrically?

Going deeper

Short notes for specialists. Choose a lens in the header and yours comes first.

For theoreticians · your lens

Ideal for spin-model physics: the same lattice realises Ising, XY and Heisenberg limits, and exchange out to third neighbours is needed to reproduce zigzag (Fe, Ni) or Néel (Mn) order. DFT+U gives reasonable gaps; the NiPS3 exciton calls for many-body treatments including Hund’s coupling and charge-transfer physics beyond standard BSE.

For experimentalists · your lens

Kerr signals vanish in antiferromagnets, so detect order via Raman (magnetic zone-folding modes appear below the Néel temperature in FePS3), linear dichroism, second-harmonic generation or magnetotransport in heterostructures. Thickness-dependent Raman is the workhorse for monolayer magnetism. The monoclinic stacking lets each layer sit in three equivalent directions, so crystals are often twinned by 120° rotations; rule this out before reading in-plane anisotropy into angle-dependent magnetisation data.

For engineers · your lens

Research materials for antiferromagnetic spintronics. Good stability and wide gaps help, but electrical readout of antiferromagnetic order in devices remains the fundamental challenge.

In the research tracks

Recent news

The newest items tagged MPS3, from the news feed updated 5 Oct 2026.

Journal 2D Materials (IOP)

Accessing multi-band transport in bilayer graphene charge-transfer interfaces

Placing atomically thin carbon layers in close proximity with other van der Waals materials can result in a wide range of emergent phenomena driven by multiple proximity effects, which can modify their low-energy band structure and/or shift the Fermi level away from charge neutrality. Here we show that charge transfer…

Preprintnot yet peer reviewed arXiv

Floquet Spin-Antiferroelectricity in Collinear Antiferromagnets

Multiferroics combining magnetic and polar orders offer opportunities for optical control of spin and electric degrees of freedom. Here, using symmetry analysis and Floquet theory, we establish Floquet spin-antiferroelectricity coexisting with unconventional magnetism in periodically driven collinear antiferromagnets…

TheoryMPS₃
Preprintnot yet peer reviewed arXiv

Electrical Probing of Sub-Néel Spin Dynamics in Two-Dimensional Antiferromagnets Using Graphene Heterostructures

Low-dimensional antiferromagnetic van der Waals materials have emerged as a versatile platform for exploring exotic spin dynamics and magnetic phases, yet electrically accessing these phenomena remains a major challenge because of their vanishing net magnetization and highly insulating nature. Here, we demonstrate that…

Preprintnot yet peer reviewed arXiv

Floquet Spin-Antiferroelectric Phase in Collinear Antiferromagnets

Multiferroic phases combining magnetic and polar orders offer opportunities for optical control of spin and electric degrees of freedom. Here, using symmetry analysis and Floquet theory, we establish a Floquet spin-antiferroelectric phase coexisting with unconventional magnetism in periodically driven collinear…

TheoryMPS₃

All 13 items tagged MPS₃ in the news feed  ·  RSS feed for MPS₃

Key references

  1. Ising-type magnetic ordering in atomically thin FePS3Lee et al. · Nano Letters 16, 7433 (2016)cited by 1,083doi:10.1021/acs.nanolett.6b03052
  2. Suppression of magnetic ordering in XXZ-type antiferromagnetic monolayer NiPS3Kim et al. · Nature Communications 10, 345 (2019)cited by 456doi:10.1038/s41467-018-08284-6
  3. Coherent many-body exciton in van der Waals antiferromagnet NiPS3Kang et al. · Nature 583, 785 (2020)cited by 324doi:10.1038/s41586-020-2520-5
  4. Quasi-two-dimensional magnetic correlations in Ni2P2S6 probed by 31P NMRDioguardi et al. · Physical Review B 102, 064429 (2020)cited by 19doi:10.1103/PhysRevB.102.064429
  5. Crystal growth and anisotropic magnetic properties of quasi-two-dimensional (Fe1−xNix)2P2S6Selter et al. · Physical Review Materials 5, 073401 (2021)cited by 43doi:10.1103/PhysRevMaterials.5.073401