Magnetic ground state under anion doping of Cr2Se3

Determine what magnetic ground state is achieved in Cr2Se3 through anion doping, including iodine incorporation, in light of the predicted fully compensated ferrimagnetic ground state of pristine Cr2Se3 and its predicted conversion to ferromagnetism under Te or Se substitution.

Background

Cr2Se3 has a complex magnetic structure governed by competing direct-exchange and Se-mediated superexchange interactions among distinct chromium sites. The paper notes that theoretical calculations predict a fully compensated ferrimagnetic ground state for Cr2Se3, while substitution involving Te or Se can drive the system toward ferromagnetism.

Because anion incorporation changes the local chemical environment, lattice parameters, electronic doping, and exchange pathways, the magnetic ground state produced by anion doping cannot be inferred directly from the pristine compound or from previously studied substitutions. Establishing the resulting ground state is therefore an unresolved problem directly relevant to understanding the magnetic behavior of iodine-incorporated and other anion-doped Cr2Se3 materials.

References

Consequently, it remains an open question what ground state may be achieved through any anion doping into the system.

— Magnetically coupled charge-transport crossover and giant negative magnetoresistance in iodine-incorporated Cr$_2$Se$_3$  (2609.17945 - Das et al., 16 Sep 2026) in Section Results, subsection Structure