Computational Study of a Novel 2D Ferromagnetic Metal: the Ce2C Monolayer. Issue 11 (13th September 2020)

• Record Type: Journal Article
• Authors: Zhang, Lifu; Pan, Jinbo; Yan, Qimin; Hu, Zhenpeng
• Is Part Of: Physica status solidi. Volume 14:Issue 11(2020)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-09-13
• Subjects: density functional theory -- ferromagnetic materials -- magnetic anisotropy energy; Solid state physics -- Periodicals; 530.4105
• DOI: 10.1002/pssr.202000324
• Languages: English
• ISSNs: 1862-6254

Abstract

Abstract : Based on the first‐principles calculations, a novel 2D Ce2 C monolayer with ferromagnetic behavior is designed. Ce2 C monolayer has an antisite structure of the 1 T‐MoS2 sheet, where carbon atoms are hexagonally coordinated by neighboring Ce atoms. Both calculations of phonon dispersion and molecular dynamics show that the Ce2 C monolayer has good stability. The Curie temperature of Ce2 C monolayer is predicted to be about 72 K based on the Heisenberg model. Due to a strong spin–orbit coupling, the magnetic anisotropy energy of the Ce2 C monolayer is larger than those of pure metals, such as Fe, Co, and Ni. These characteristics suggest the 2D Ce2 C sheet may have potential applications as a functional material in nanoscale spintronic devices. Abstract : The 2D Ce2 C is predicted to be a ferromagnetic metal with an estimated Curie temperature about 72 K. The spin–orbit coupling effect with a large magnetic anisotropy energy has been observed in this material which is helpful to preserve magnetic stability against thermal fluctuations.