Strain-controlled magnetism and magnetoelasticity in monolayer NiPS$_3$ and CrPS$_4$

Balázs Nagyfalusi; Alvaro Bermejillo-Seco; Linde de Jong; Ritesh Das; Yaroslav M. Blanter; Herre S. J. van der Zant; Amador Garcia-Fuente; and Jaime Ferrer

arXiv · 2608.11356

Strain-controlled magnetism and magnetoelasticity in monolayer NiPS$_3$ and CrPS$_4$

Balázs Nagyfalusi·Alvaro Bermejillo-Seco·Linde de Jong·Ritesh Das·Yaroslav M. Blanter·Herre S. J. van der Zant·Amador Garcia-Fuente·and Jaime Ferrer

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Abstract

We develop a first-principles framework for magnetoelastic coupling in two-dimensional magnets based on a strain-dependent Heisenberg model. In this approach, strain derivatives of the exchange interactions provide direct access to magnetostriction and to the magnetic renormalization of the elastic tensor, establishing a microscopic link between spin interactions and elastic response. We apply the method to monolayer NiPS$_3$ and CrPS$_4$, which exhibit contrasting magnetoelastic behavior. NiPS$_3$ shows weak and nearly isotropic spin-lattice coupling, consistent with a robust zigzag antiferromagnetic ground state. In contrast, CrPS$_4$ displays strong anisotropic coupling, leading to strain-driven transitions between spin-spiral and ferromagnetic phases and significant changes in the critical temperature and elastic response. Our results demonstrate a general route to quantify magnetoelastic effects in low-dimensional magnets and highlight CrPS$_4$ as a promising platform for strain engineering of magnetic order.

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Balázs Nagyfalusi, Alvaro Bermejillo-Seco, Linde de Jong, Ritesh Das, Yaroslav M. Blanter, Herre S. J. van der Zant, Amador Garcia-Fuente, and Jaime Ferrer. 2026-08-11. Strain-controlled magnetism and magnetoelasticity in monolayer NiPS$_3$ and CrPS$_4$. https://arxiv.org/abs/2608.11356

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