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Inverse Lieb Materials: Altermagnetism and More

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arxiv 2508.04839 v2 pith:ESTPRERI submitted 2025-08-06 cond-mat.mtrl-sci

Inverse Lieb Materials: Altermagnetism and More

classification cond-mat.mtrl-sci
keywords magneticexchangematerialsaltermagneticaltermagnetismliebmodelcalculations
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The Lieb lattice, originally proposed for cuprate superconductors, has gained new attention in the emerging field of altermagnetism as a minimal analytical model for the latter. While initially the so-called inverse Lieb lattice (ILL) was deemed only a theoretical model, recently several real materials with this crystallographic motif have been found. The unique geometry of ILL can accommodate complex magnetic orderings arising from competing exchange interactions and geometric frustration, offering great tunability for magnetic properties. In this work, we provide comprehensive insights into magnetic phases in ILL materials and establish guidelines for efficient identification of altermagnetic materials within this family. We begin by constructing phase diagrams using a simple Heisenberg model to elucidate the fundamental mechanisms underlying altermagnetism and other complex magnetic phases observed experimentally. To bridge theory with experiment, we systematically investigate a series of existing ILL compounds using density functional theory (DFT) calculations to determine their magnetic ground states. Our computational results are in good agreement with experimental observations. Importantly, we identify a trend linking magnetic ordering to the $d$-shell filling of transition metal ions, with $d^{2-3}$ and $d^{5}$ configurations showing propensity for altermagnetic behavior. Additionally, we identify a promising metallic compound Sr$_{2}$CrO$_{2}$Cr$_{2}$OAs$_{2}$ as an altermagnet that is highly anisotropic in its $J_2$ exchange couplings with large N\'eel temperature ($\sim 600$ K). Using exchange coupling parameters extracted from DFT calculations, we compute the magnon spectra for altermagnetic systems. As expected, chiral splittings in the magnon dispersion are directly correlated with anisotropy between crystallographically inequivalent $J_{2}$ exchange interactions.

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Cited by 8 Pith papers

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    cond-mat.str-el 2026-06 unverdicted novelty 7.0

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  3. Deterministic Electrical Switching in Altermagnets via Surface Antisymmetry Groups

    cond-mat.mtrl-sci 2026-03 accept novelty 7.0

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    cond-mat.mtrl-sci 2026-02 unverdicted novelty 7.0

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    cond-mat.supr-con 2026-03 conditional novelty 6.0

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    cond-mat.str-el 2025-12 conditional novelty 6.0

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    cond-mat.str-el 2026-05 unverdicted novelty 5.0

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