[16p-P10-1~10] 6.5 Surface Physics, Vacuum

[16p-P10-9] Theoretical Study on the importance of substrate selection in controlling magnetism of Surface-Adsorbed Yttrium(III) Double-decker Phthalocyaninato Complexes

〇Rikuya Hirota¹, Kohei Tada¹, Keiichi Katoh², Ryohei Kishi¹, Yasutaka Kitagawa¹ (1.Osaka Univ., 2.Josai Univ.)

Keywords:

Phthalocyaninato complexes,Surface adsorption,Density functional theory

In order to improve the single-molecule magnet performance of double-decker lanthanide (III)-Phthalocyaninato complexes (LnPc₂), which have potential applications in molecular memory, molecules whose ligand (Pc) has an electron spin have been synthesized. It is assumed that substrate adsorption affects the magnet performance, but the details have not yet been clarified. In this study, we aim to control the magnetism of LnPc₂ complexes and analyze the effect of surface adsorption based on density functional theory using a recently synthesized YPc₂ complex as a model.