First-principles predictions of two-dimensional Ce-based ferromagnetic semiconductors: CeF₂ and CeFCl monolayers.

ABSTRACT: Two-dimensional (2D) ferromagnetic (FM) semiconductors hold great promise for the next generation spintronics devices. By performing density functional theory first-principles calculations, both CeF₂ and CeFCl monolayers are studied, our calculation results show that CeF₂ is a FM semiconductor with sizable magneto-crystalline anisotropy energy (MAE) and high Curie temperature (290 K), but a smaller band gap and thermal instability indicate that it is not applicable at higher temperature. Its isoelectronic analogue, the CeFCl monolayer, is a bipolar FM semiconductor, its dynamics, elastic, and thermal stability are confirmed, our results demonstrate promising applications of the CeFCl monolayer for next-generation spintronic devices owing to its high Curie temperature

SUBMITTER: Hu Y 

PROVIDER: S-EPMC11755109 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature