Construction of the complementary simulation method for the molecular spin state on surfaces

2014 Fiscal Year Final Research Report

• Project/Area Number: 25871114
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Thin film/Surface and interfacial physical properties; Nanostructural physics
• Research Institution: The University of Tokyo
• Principal Investigator: MINAMITANI Emi 東京大学, 工学(系)研究科(研究院), 助教 (00457003)
• Project Period (FY): 2013-04-01 – 2015-03-31
• Keywords: 近藤効果 / 磁気異方性 / 数値くりこみ群 / 第一原理計算

Outline of Final Research Achievements

In order to elucidate the Kondo effect and the magnetic anisotropy in molecule, we constructed the theoretical method that includes the three important components, i.e., characteristics of the molecules and substrates, effect of adsorption, electron correlation effect. As for the molecular Kondo effect, we demonstrated the chemical controlling of the Kondo effect in iron-phthalocyanine molecule and found the spatially extended Kondo effect induced by the strong π-d interaction. As for the magnetic anisotropy, we have constructed the minimal model Hamiltonian that includes the first order effect of the spin-orbit interaction on the basis of the ligand-field theory.

Free Research Field

表面界面物性理論