Magnetic coupling in nonmagnetic metal adsorption on arsenene monolayer: Ab initio study | Zendy

Min Luo | Zendy; Yu Xu | Zendy; Xi Yu Song | Zendy

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Magnetic coupling in nonmagnetic metal adsorption on arsenene monolayer: Ab initio study

Author(s) -

Min Luo,

Yu Xu,

Xi Yu Song

Publication year - 2017

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.5004467

Subject(s) - monolayer , magnetism , ferromagnetism , spintronics , ab initio quantum chemistry methods , condensed matter physics , ab initio , magnetic moment , materials science , exchange interaction , adsorption , coupling (piping) , chemistry , physics , nanotechnology , molecule , organic chemistry , metallurgy

The structural, electronic and magnetic properties of adsorbed arsenene monolayer with a series of nonmagnetic metal atoms, including Al, Ga, Li, Mg, and Na, are systematically investigated using first-principles calculations. From our calculations, nonmagnetic states appear in the cases of Li, Mg, and Na. The magnetism has been observed for Al and Ga adatoms. Then, we study the magnetic interaction between the moments induced by Al and Ga adatoms. It is found that a p–d exchange-like p-p hybridization results in the ferromagnetic (FM) state. However, when the distance of Ga-Ga or Al-Al is increased, it is found out that the FM interaction has been extremely depressed. This phenomenon can be explained by a simple Heisenberg model. The X-adsorbed (X= Al and Ga) arsenene systems are promising candidates for spintronic devices in the future

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