Role of buffer layer in electronic structures of iron phthalocyanine molecules on Au(111)

• 作 者: 孙家涛 潘理达 胡昊 杜世萱 高鸿钧
• 机 构: Nanoscale Physics and Devices Laboratory,Institute of Physics,Chinese Academy of Sciences,
• 出 处: Chinese Physics B
• 发表日期: 2010年09期
• 关键词: phthalocyanine monolayer lying unchanged downward adsorbed screening hollow near

We investigate the electronic structures of one and two monolayer iron phthalocyanine (FePc) molecules on Au(111) surfaces. The first monolayer FePc is lying flat on the Au(111) substrate, and the second monolayer FePc is tilted at～15° relative to the substrate plane along the nearest neighbour [101ˉ] direction with a lobe downward to the central hole of the unit cell in the first layer. The structural information obtained by first-principles calculations is in agreement with the experiment results. Furthermore, it is demonstrated that the electronic structures of FePc molecules in one-monolayer FePc/Au(111) system are perturbed significantly, while the electronic structures of FePc molecules in the second monolayer in two-monolayer FePc/Au(111) system remain almost unchanged due to the screening of the buffer layer on Au(111).

We investigate the electronic structures of one and two monolayer iron phthalocyanine (FePc) molecules on Au (111) surfaces. The first monolayer FePc is lying flat on the Au (111) substrate, and the second monolayer FePc is tilted at ~ 15 ° relative to the substrate plane along the nearest neighbor [101 ˉ] direction with a lobe downward to the central hole of the unit cell in the first layer. The structural information obtained by first-principles calculations is in agreement with the experiment results. Furthermore, it is demonstrated that the electronic structures of FePc molecules in one-monolayer FePc / Au (111) system are perturbed significantly, while the electronic structures of FePc molecules in the second monolayer in two-monolayer FePc / Au the screening of the buffer layer on Au (111).