Role of buffer layer in electronic structures of iron phthalocyanine molecules on Au(111) |
| |
Authors: | Sun Jia-Tao Pan Li-D Hu Hao Du Shi-Xuan Gao Hong-Jun |
| |
Affiliation: | Nanoscale Physics and Devices Laboratory, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China |
| |
Abstract: | 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 [101-] 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). |
| |
Keywords: | iron phthalocyanine electronic structure calculations buffer layer |
本文献已被 CNKI 维普 等数据库收录! |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
|
点击此处可从《中国物理 B》下载免费的PDF全文 |
|