Spin-Transport Tuning of Individual Magnetic Mn-Salophen Molecule via Chemical Adsorption

Molecules

Jianing Wang¹  Qunxiang Li¹  Jing Huang²  Feifei Li² 

[1] Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, Anhui, China;School of Materials and Chemical Engineering, Anhui Jianzhu University, Hefei 230601, Anhui, China;

关键词: spin-filtering;    spin switch;    chemical adsorption;    magnetism;    electronic structure;   

DOI  :  10.3390/molecules24091747

来源: DOAJ

【 摘 要 】

Control over spin states at the single molecule level is a key issue in the emerging field of molecular spintronics. Here, we explore the chemical adsorption effect on the magnetic and spin-transport properties of individual magnetic molecule by performing extensive density functional theory calculations in combining with non-equilibrium Green’s function method. Theoretical results clearly reveal that the molecular magnetic moment of Mn-salophen can be effectively tuned by adsorbing F and CO on the central Mn cation, while the adsorbed NO molecule quenches the molecular magnetic moment. Without chemical adsorption, the currents through Mn-salophen molecular junction just show a little distinction for two spin channels, which agrees well with previous investigation. Remarkably, the conductive channel can be switched from the spin-up electrons to the spin-down electrons via adsorbing F and CO, respectively, and the corresponding two Mn-salophen molecular junctions with chemical modifications display nearly perfect spin-filtering effect. The observed spin switch and the predicted spin-filtering effect via chemical adsorption indicates that Mn-salophen holds potential applications in molecular spintronic devices.

【 授权许可】

Unknown