Programme

P.47 -- Poster, VCTP-48

Date: Thursday, 3 August 2023

Time: 08:30 - 10:00

C4N3BN monolayer with persistent half-metallic magnetism

Pham Nam Phong (1), Huy-Viet Nguyen (2)

(1) School of Engineering Physics, Hanoi University of Science and Technology (HUST), 1 Dai Co Viet Road, Hanoi, Vietnam (2) Institute of Physics, Vietnam Academy of Science and Technology (VAST), 10 Dao Tan Street, Hanoi, Vietnam

The new monolayer C$_4$N$_3$BN, short for triazine g-C$_4$N$_3$ with B and N tailored at vacant sites, is investigated under uniaxial or biaxial in-plane strain, with a focus on its ferrimagnetism. Our density functional study shows that the half-metallic nature of the material, together with its ferrimagnetic ground state, persists up to considerable strains from $-7$ to $10$ percent, and temperatures as high as 900 K. Specifically, at the critical uniaxial strains of $-9.30$ and $10.90$ percent, or symmetric biaxial strains of $-7.62$ and $17.38$ percent, the monolayer undergoes four transitions to ferromagnetic order, all with a moment about 1 \textmugreek\textsubscript{B}. We then present a simple explanation for this metamagnetism of the material by means of charge transfer and by counting its atomic valencies or bonding sequences in the unit cell. Our finding shows the importance and enriches the physicochemical understanding to the promising carbon nitride based half-metallic monolayers in spintronics.

Presenter: Phạm Nam Phong