Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO$_3$ (M = Cr, Mn, Fe)
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 ...
Description / Details
We investigate spin-dependent electronic states of antiferromagnetic (AFM) lanthanum chromite (LaCrO), lanthanum manganite (LaMnO), and lanthanum ferrite (LaFeO) 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.
Please sign in to join the discussion.
No comments yet. Be the first to share your thoughts!
Jan 10, 2026
Materials Science
Materials Science
0