November 07, 2022
Minneapolis, United States
Spin Dependent Electronic Structure and Magnetic Properties of Fe/Chiral Methylbenzylamine PbI4 Spinterfaces
Spin selectivity depends on the magnetism of substrate and the interaction between chiral molecules and substrate1. Measurements of the interfaces based on chiral molecules and ferromagnet by Kelvin probe show that the length of electron spin wave function entering chiral monolayer is chirality-dependent2. In this work, the electronic structure and magnetic properties of R,S-methylbenzylamine-PbI4/Fe interfaces are studied by first-principles calculations. The effects of stacking patterns and chirality on the interfaces are discussed. All four interfaces can exist at low temperature, among which the type-II is more stable. The existence of chiral organic molecules leads to the emergence of positive spatial spin polarization in the vacuum layer and the attenuation of positive spatial spin polarization in the substrate, indicating that the microstructures of interfaces will affect the spin injection efficiency. The four interfaces show negative spin polarization and perpendicular magnetic anisotropy. The effect of chiral molecules on the interfaces can be further studied by applying external electric field.
This work was supported by the National Natural Science Foundation of China (51871161 and 52071233).
1 K. Michaeli, N. Kantor-Uriel, R. Naaman and D. Waldeck, Chem. Soc. Rev. 45, 6478-6487 (2016)
2 Z. Huang, B. Bloom, X. Ni, Z. Georgieva, M. Marciesky, E. Vetter, F. Liu, D. Waldeck and D. Sun, ACS Nano 14, 10370-10375 (2020)