Exploring room-temperature ferromagnetism in WXBC (X = W, Mn, Fe) monolayers.

ABSTRACT: Two-dimensional (2D) transition metal boron-carbide is a novel material that has unique properties suitable for advanced spintronics and storage applications. Through first-principles calculations based on density functional theory (DFT) calculations, we report a new class of stable 2D ceramic WXBC (X = W, Mn, Fe) monolayers. We find that all WXBC monolayers prefer a ferromagnetic ground state with metallic electronic property. DFT calculations proved that WXBC monolayers exhibit good energetic, mechanical, and dynamic stabilities. More importantly, these monolayers exhibit large magnetic anisotropy energy (MAE) of 1213 μeV, 247 μeV and 20 μeV per magnetic atom for W₂BC, WMnBC, and WFeBC, respectively. An out-of-plane easy axis (EA) magnetization direction is found for W_2</

SUBMITTER: Abdullahi YZ 

PROVIDER: S-EPMC9533317 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature