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arXiv · 2601.06422

Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO$_3$ (M = Cr, Mn, Fe)

Takuya Okugawa·Kaoru Ohno·Yusuke Noda·Shinichiro Nakamura
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Abstract

We investigate spin-dependent electronic states of antiferromagnetic (AFM) lanthanum chromite (LaCrO$_3$), lanthanum manganite (LaMnO$_3$), and lanthanum ferrite (LaFeO$_3$) using spin-polarized first-principles density functional theory (DFT) with Hubbard U correction. The band structures are calculated for 15 types of their different AFM structures. It is verified for these structures that there is a very simple rule to identify which wave number k exhibits spin splitting or degeneracy in the band structure. This rule uses the symmetry operations that map the up-spin atoms onto the down-spin atoms. The resulting spin splitting is very small for the most stable spin configuration of the most stable experimental structure. We discuss a plausible benefit of this characteristic, i.e., the direction-independence of the spin current, in electrode applications.

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Takuya Okugawa, Kaoru Ohno, Yusuke Noda, Shinichiro Nakamura. 2026-01-10. Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO$_3$ (M = Cr, Mn, Fe). https://doi.org/10.1088/1361-648x%2Faa9e70

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