Correlation-Driven Spin Reorientation via Competing Anisotropy Channels in CrPS4

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Hauptverfasser: Baral, Raju, Jeschke, Harald O., Mazin, Igor I., Liu, Jue, Mandrus, David, Calder, Stuart
Format: Preprint
Veröffentlicht: 2026
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author Baral, Raju
Jeschke, Harald O.
Mazin, Igor I.
Liu, Jue
Mandrus, David
Calder, Stuart
author_facet Baral, Raju
Jeschke, Harald O.
Mazin, Igor I.
Liu, Jue
Mandrus, David
Calder, Stuart
contents We identify a correlation-driven mechanism for the temperature-induced spin reorientation in the quasi-one-dimensional van der Waals antiferromagnet CrPS4. Magnetic pair distribution function (mPDF) analysis resolves the local spin direction and shows that ferromagnetic intrachain correlations persist far above TN. Combining these correlations with a DFT-derived spin Hamiltonian reveals competing single-ion and exchange-anisotropy channels, with single-ion anisotropy remaining local while exchange anisotropy is renormalized as intersite correlations decay. This differential renormalization rotates the effective easy axis and captures the ordered-state canting. Above TN, the continued rotation beyond the model prediction delineates the limits of the dominant-chain approximation. These results establish mPDF-derived correlations as direct inputs to microscopic Hamiltonians and show how low-dimensional correlations can control magnetic anisotropy.
format Preprint
id arxiv_https___arxiv_org_abs_2605_16541
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Correlation-Driven Spin Reorientation via Competing Anisotropy Channels in CrPS4
Baral, Raju
Jeschke, Harald O.
Mazin, Igor I.
Liu, Jue
Mandrus, David
Calder, Stuart
Strongly Correlated Electrons
Other Condensed Matter
We identify a correlation-driven mechanism for the temperature-induced spin reorientation in the quasi-one-dimensional van der Waals antiferromagnet CrPS4. Magnetic pair distribution function (mPDF) analysis resolves the local spin direction and shows that ferromagnetic intrachain correlations persist far above TN. Combining these correlations with a DFT-derived spin Hamiltonian reveals competing single-ion and exchange-anisotropy channels, with single-ion anisotropy remaining local while exchange anisotropy is renormalized as intersite correlations decay. This differential renormalization rotates the effective easy axis and captures the ordered-state canting. Above TN, the continued rotation beyond the model prediction delineates the limits of the dominant-chain approximation. These results establish mPDF-derived correlations as direct inputs to microscopic Hamiltonians and show how low-dimensional correlations can control magnetic anisotropy.
title Correlation-Driven Spin Reorientation via Competing Anisotropy Channels in CrPS4
topic Strongly Correlated Electrons
Other Condensed Matter
url https://arxiv.org/abs/2605.16541