Email this article Structures and electronic properties of germanium-doped Nin clusters, n = 13–23
- Authors: Song W.1, Li H.2, He C.3, Zhang W.4
-
Affiliations:
- Physics and Electronic Engineering Department
- School of International Education and Exchange
- Physics and Electronic Engineering College
- International Joint Research Laboratory of Nano-Micro Architecture Chemistry and Institute of Theoretical Chemistry
- Issue: Vol 91, No 11 (2017)
- Pages: 2180-2187
- Section: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/169769
- DOI: https://doi.org/10.1134/S0036024417110322
- ID: 169769
Cite item
Open Access
Access granted
Subscription Access
Abstract
The magnetic property and electronic properties such as binding energy, charge transfer, ionization potential and electron affinity of the Nin–1Ge (n = 13–23) neutral and ionic clusters have been studied using the density functional theory calculations with the PBE exchange-correlation energy functional. The calculated total magnetic moments decrease with the addition of Ge atom. Both the calculated ionization potential and electron affinity exhibit an oscillating behavior as the cluster size increases.
About the authors
Wei Song
Physics and Electronic Engineering Department
Email: zhangw_bxx@jlu.edu.cn
China, Xinxiang, 453003
Hua-qiang Li
School of International Education and Exchange
Email: zhangw_bxx@jlu.edu.cn
China, Xinxiang, 453003
Chao-zheng He
Physics and Electronic Engineering College
Email: zhangw_bxx@jlu.edu.cn
China, Nanyang, 473061
Wei Zhang
International Joint Research Laboratory of Nano-Micro Architecture Chemistry and Institute of Theoretical Chemistry
Author for correspondence.
Email: zhangw_bxx@jlu.edu.cn
China, Changchun, Jilin, 130012
