Local spin structure in the layered van der Waals materials MnPS𝑥⁢Se3−𝑥

Baral, Raju; Haglund, Amanda V.; Liu, Jue; Kolesnikov, Alexander I.; Mandrus, David; Calder, Stuart

doi:10.1103/PhysRevB.110.014423

Local spin structure in the layered van der Waals materials MnPS_𝑥⁢Se_3−𝑥

Journal Article · Mon Jul 15 00:00:00 EDT 2024 · Physical Review. B

DOI:https://doi.org/10.1103/PhysRevB.110.014423· OSTI ID:2573240

^[1]; Haglund, Amanda V. ^[2]; ^[1]; ^[1]; ^[3]; ^[1]

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States)
Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Two-dimensional (2D) layered materials, whether in bulk form or reduced to just a single layer, have potential applications in spintronics and capacity for advanced quantum phenomena. A prerequisite for harnessing these opportunities lies in gaining a comprehensive understanding of the spin behavior in 2D materials. The low dimensionality motivates an understanding of the spin correlations over a wide length scale, from local to long-range order. In this context, we focus on the magnetism in bulk MnPSe₃ and MnPS₃, 2D layered van der Waals antiferromagnetic semiconductors. These materials have similar honeycomb Mn layers and magnetic ordering temperatures, but distinct spin orientations and exchange interactions. Here, we utilize neutron scattering to gain deeper insights into the local magnetic structures and spin correlations in the paramagnetic and ordered phases by systematically investigating a MnPS_𝑥⁢Se_3−𝑥 (𝑥 = 0, 1, 1.5, 2, 3) series of powder samples using total neutron scattering measurements. By employing magnetic pair distribution function analysis, we unraveled the short-range magnetic correlations in these materials and explored how the nonmagnetic anion S/Se mixing impacts the magnetic correlations. The results reveal that the magnetism can be gradually tuned through alteration of the nonmagnetic S/Se content, which tunes the atomic structure. The change in magnetic structure is also accompanied by a control of the magnetic correlation length within the 2D honeycomb layers. Complimentary inelastic neutron scattering measurements allowed a quantification of the change in the magnetic exchange interactions for the series and further highlighted the gradual evolution of spin interactions in the series MnPS_𝑥⁢Se_3−𝑥.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: Gordon and Betty Moore Foundation (GBMF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 2573240

Alternate ID(s):: OSTI ID: 2474457

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 1 Vol. 110; ISSN 2469-9969; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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