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Fragile altermagnetism and orbital disorder in Mott insulator LaTiO$_3$

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arxiv 2411.00583 v1 pith:MPARHXCN submitted 2024-11-01 cond-mat.mtrl-sci cond-mat.str-el

classification cond-mat.mtrl-scicond-mat.str-el
keywords orbitalaltermagnetismdisorderaltermagneticcouplinginsulatorlatiomomentum
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abstract

Based on ab initio calculations, we demonstrate that a Mott insulator LaTiO$_3$ (LTO), not inspected previously as an altermagnetic material, shows the characteristic features of altermagnets, i.e., (i) fully compensated antiferromagnetism and (ii) $\mathbf{k}$-dependent spin-split electron bands in the absence of spin-orbit coupling. The altermagnetic ground state of LTO is protected by the crystal symmetry and specifically ordered $d$-orbitals of Ti ions with the orbital momentum $l=2.$ The altermagnetism occurs when sites of Ti pair in the unit cell are occupied by single electrons with $m=-1,s_{z}=+1/2$ and $m=+1,s_{z}=-1/2$ per site, with $m$ and $s_{z}-$ being the $z-$ component of the orbital momentum and spin, respectively. By further simulating orbital disorder within the Green's function method, we disclose its damaging character on the spin splitting and the resulting altermagnetism. When the single-electron spin-polarized state at each Ti site is contributed almost equally by two or three $t_{2g}$ orbitals, LTO becomes antiferromagnetic. The effect of the spin-orbit coupling, which can cause orbital disorder and suppress altermagnetism, is discussed.

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Cited by 1 Pith paper

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score.

  1. Altermagnetism in 6H perovskites

    cond-mat.mtrl-sci 2025-07 conditional novelty 6.0 of 10

    Certain 6H perovskite oxides are altermagnets with non-relativistic spin-split bands, and one candidate, Ba3NiRu2O9, shows a large piezomagnetic response when hole-doped and strained.

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