Adsorption structure of germanium on the Ru(0001) surface

作者：Lu Y H; Jia Y; Zhang H J; Song B; Li H Y; Bao S N; He P^*

来源：Applied Surface Science, 2007, 254(2): 431-435.

DOI：10.1016/j.apsusc.2007.05.084

• Ge/Ru growth system
• adsorption structure
• Ab initio DFT calculation
• scanning tunneling microscopy

Coverage-dependent adsorption energy of the Ge/Ru(0 0 0 1) growth system and the geometrical distortions of the most stable adsorption structure are investigated through first-principles calculations within density functional theory. A local minimum in adsorption energy is found to be at a Ge coverage of 1/7 monolayer with a Ru(0 0 0 1)-root 21 x root 21-3Ge symmetry. Based on this stale superstructure, the scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) images are simulated by means of surface local-density of states (LDOS). The results are consistent well with the STM measurements on the root 21 x root 21 phase for Ge overlayer on Ru(0 0 0 1). From this stimulation, the relations between the STM images and the lattice distortion are also clarified.

• 出版日期2007-9-15
• 单位郑州大学; 浙江大学