A Density Functional Theory Study of Magnetic Transition in MnO2 adsorbed Vanadium Carbide (V$_2$C) MXene

Mahjabeen Fatima; Saleem Ayaz Khan; Syed Rizwan

doi:10.1016/j.jmmm.2024.172749

paper

A Density Functional Theory Study of Magnetic Transition in MnO2 adsorbed Vanadium Carbide (V $_{2}$ C) MXene

arXiv:2411.09536 · doi:10.1016/j.jmmm.2024.172749

Abstract

The work reports nonmagnetic behavior (0.04 $μ$ B) in two-dimensional (2D) V2C-OF MXene and ferromagnetism in MnO $_{2}$ adsorbed V2C-OF MXene. The density functional theory (DFT) calculations were carried out to study the magnetic moments of V $_{2}$ C-OF and MnO $_{2}$ @V $_{2}$ C-OF MXene. The MXene, which is derived from the exfoliation of its parent V $_{2}$ AlC MAX phase, shows a good potential to be a ferromagnetic when MnO $_{2}$ is adsorbed on it. The V $_{2}$ C MXene and MnO $_{2}$ adsorbed V $_{2}$ C MXene were successfully synthesized, as characterized using X-ray diffraction, showing an increased c-lattice parameter from 22.6Å to 27.2Å after MnO $_{2}$ adsorption. The DFT study confirmed that MnO $_{2}$ adsorbed V $_{2}$ C MXene changed from nonmagnetic (in V $_{2}$ C MXene) to a strong ferromagnetic with a magnetic moment of 4.48 $μ$ B for Mn adsorbed V $_{2}$ C-OF MXene. The current work is a step-forward towards understanding of magnetism in two-dimensional materials for future 2D spintronics.

A Density Functional Theory Study of Magnetic Transition in MnO2 adsorbed Vanadium Carbide (V2​C) MXene

Abstract

References in corpus (2)

A Density Functional Theory Study of Magnetic Transition in MnO2 adsorbed Vanadium Carbide (V $_{2}$ C) MXene