title: Magnetic exchange coupling and anisotropy of 3d transition metal nanowires on graphyne.
abstract: Applying two-dimensional monolayer materials in nanoelectronics and spintronics is hindered by a lack of ordered and separately distributed spin structures. We investigate the electronic and magnetic properties of one-dimensional zigzag and armchair 3d transition metal (TM) nanowires on graphyne (GY), using density functional theory plus Hubbard U (DFT + U). The 3d TM nanowires are formed on graphyne (GY) surfaces. TM atoms separately and regularly embed within GY, achieving long-range magnetic spin ordering. TM exchange coupling of the zigzag and armchair nanowires is mediated by sp-hybridized carbon, and results in long-range magnetic order and magnetic anisotropy. The magnetic coupling mechanism is explained by competition between through-bond and through-space interactions derived from superexchange. These results aid the realization of GY in spintronics.
authors: Key Laboratory of Low-dimensional Materials and Application Technology, Xiangtan University, Xiangtan 411105, China.
authors: Junjie
authors: J
authors: He
authors: Key Laboratory of Low-dimensional Materials and Application Technology, Xiangtan University, Xiangtan 411105, China.
authors: Pan
authors: P
authors: Zhou
authors: Key Laboratory of Low-dimensional Materials and Application Technology, Xiangtan University, Xiangtan 411105, China.
authors: N
authors: N
authors: Jiao
authors: Key Laboratory of Low-dimensional Materials and Application Technology, Xiangtan University, Xiangtan 411105, China.
authors: S Y
authors: SY
authors: Ma
authors: Department of Physics, Xiangtan University, Xiangtan 411105, China.
authors: K W
authors: KW
authors: Zhang
authors: College of Materials Science and Engineering, Beijing University of Technology, Beijing100124, China.
authors: R Z
authors: RZ
authors: Wang
authors: Key Laboratory of Low-dimensional Materials and Application Technology, Xiangtan University, Xiangtan 411105, China.
authors: L Z
authors: LZ
authors: Sun