Half-metallic antiferromagnets induced by non-magnetic adatoms on bilayer silicene

• Published in: RSC advances Vol. 13; no. 4; pp. 244 - 241
• Main Authors: Ouyang, Xiao-Fang, Zhang, Yu-Zhong, Wang, Lu, Liu, De-Sheng
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 11.01.2023
• Subjects: Adatoms; Antiferromagnetism; Bilayers; Charge transfer; Density functional theory; Ferromagnetism; First principles; Interlayers; Mathematical analysis; Metallicity; Nanoelectronics; Nanoribbons; Silicene; Spintronics; Substrates; Transition metals
• ISSN: 2046-2069; 2046-2069
• DOI: 10.1039/d2ra06955e

Transition metal-free magnetism and two-dimensional p-state half-metals have been a fascinating subject of research due to their potential applications in nanoelectronics and spintronics. By applying density functional theory calculations, we predict that bilayer silicene can be an interlayer antiferromagnetic ground state. Interestingly, the half-metallicity is realized by adsorbing non-magnetic atoms on the antiferromagnetic bilayer silicene in the absence of transition magnetic atoms, nanoribbons, ferromagnetic substrates and magnetic field. Then, on the basis of first principles calculations and theoretical analysis, we show that the realization of half-metallicity is induced by the split of antiferromagnetic degeneracy due to the localization of transfer charge from the adatom to silicene. Our findings may open a new avenue to silicene-based electronic and spintronic devices. Half-metallicity could be realized by deposition of non-magnetic atoms on a layered two-dimensional material with an interlayer antiferromagnetic state. After connecting the left and right electrodes, spin polarized current can be output.