Orbital-Selective Spin Splitting in the Altermagnetic Ti${}_2$XX' Monolayers

Abstract

Altermagnets have attracted intensive attention recently, owing to their unique combination of zero net magnetic moment of antiferromagnets and momentum space spin-splitting of ferromagnets. Herein, we systematically explore monolayer altermagnetic Ti${}_2$XX' (X/X' = F, Cl, Br, I) materials for novel electronic properties. Especifically, spin-splitting exists in the valence bands of all studied materials, whereas several compositions exhibit nearly spin-degenerate conduction bands near the Fermi level, which is markedly different from conventional altermagnets. This phenomenon can be attributed to the bond-angle-sensitive super-exchange occurring in the $d_{xz}$ or $d_{yz}$ orbitals, while the super-exchange of the $d_{x^2-y^2}$ orbital is not sensitive to the Ti-X-Ti bond angle. Motivated by this intriguing phenomenon, Fermi level modulation via doping or heterostructure construction enables the transition between two electronic states, endowing these materials great application potential in information storage devices.

18 pages, 3 figures