Development of theoretical method toward molecular spintronic and electronic device design

2016 Fiscal Year Final Research Report

• Project/Area Number: 15K17465
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Thin film/Surface and interfacial physical properties
• Research Institution: The University of Tokyo
• Principal Investigator: Minamitani Emi 東京大学, 大学院工学系研究科(工学部), 講師 (00457003)
• Project Period (FY): 2015-04-01 – 2017-03-31
• Keywords: 分子磁性 / 近藤効果 / スピン軌道相互作用 / 数値くりこみ群 / 第一原理計算

Outline of Final Research Achievements

In order to reveal the magnetism in the molecules adsorbed on metal surface, we have developed theoretical method which can treat both characteristics of molecules and electron correlation effect, and apply this method to the elucidation of the Kondo effect, magnetic anisotropy in molecular-surface systems.
we have succeeded to build a flexible and efficient Numerical renormalization group simulation code which can handle various Kondo models. By using this code, I have carried out theoretical studies of magnetism in transition metal phthalocyanine on metal surfaces, for example, the Kondo effect induced by the collective spin in Mn-phthalocyanine molecule on Pb(111) surface, and competition between the spin-orbit interaction and the Kondo effect in Fe-phthalocyanine molecule on Au(111) surface.

Free Research Field

表面界面物性理論