English

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

Materials Science 2026-01-13 v1

Abstract

We investigate spin-dependent electronic states of antiferromagnetic (AFM) lanthanum chromite (LaCrO3_3), lanthanum manganite (LaMnO3_3), and lanthanum ferrite (LaFeO3_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.

Keywords

Cite

@article{arxiv.2601.06422,
  title  = {Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO$_3$ (M = Cr, Mn, Fe)},
  author = {Takuya Okugawa and Kaoru Ohno and Yusuke Noda and Shinichiro Nakamura},
  journal= {arXiv preprint arXiv:2601.06422},
  year   = {2026}
}

Comments

28 pages, 8 figures, Supplementary Data available from "Public Full-text" at https://www.researchgate.net/publication/321416556