Coordination-resolved local bond relaxation, electron binding-energy shift, and Debye temperature of Ir solid skins

• Main Authors: Wang, Yan, Yang, Xuexian, Yang, Yezi, Li, Can, Bo, Maolin, Sun, Changqing, Huang, Yongli
• 其他作者: School of Electrical and Electronic Engineering
• 格式: Article
• 語言: English
• 出版: 2015
• 主題: DRNTU::Engineering::Electrical and electronic engineering::Nanoelectronics
• 在線閱讀: https://hdl.handle.net/10356/104752; http://hdl.handle.net/10220/24663

Numerical reproduction of the measured 4f7/2 energy shift of Ir(100), (111), and (210) solid skins turns out the following: (i) the 4f7/2 level of an isolated Ir atom shifts from 56.367eV to 60.332 eV by 3.965 eV upon bulk formation; (ii) the local energy density increases by up to 130% and the atom...