Enhancement of magnetoresistance and current spin polarization in single-molecule junctions by manipulating the hybrid interface states via anchoring groups

Autor: Gui-Chao Hu, Chuan-Kui Wang, Shuai Qiu, Yuanyuan Miao, Guang-Ping Zhang, Junfeng Ren
Rok vydání: 2019
Předmět:
Zdroj: Journal of Magnetism and Magnetic Materials. 479:247-253
ISSN: 0304-8853
DOI: 10.1016/j.jmmm.2019.02.011
Popis: Based on density functional theory combined with nonequilibrium Green’s function method, the spin polarization of hybrid interface states in magnetic molecular junctions and their roles in spin-dependent transport are investigated. The results demonstrate that by choosing anchoring atoms with different types of outer orbitals, the spin polarization of the hybrid interface states can be tuned. A dependence of the spin polarization on the atomic electronegativity is revealed, where a high spin polarization is achieved in the case of O atom with large electronegativity. The transport calculation shows that a corresponding adjustable spin-dependent transport is realized, where an enhanced tunneling magnetoresistance and a large spin filtering efficiency are realized by using the anchoring atoms with large electronegativity. This work proposes a valid way to enhance the functionality of molecular spintronic devices by manipulating the hybrid interface states.
Databáze: OpenAIRE