Отправить статью по E-mail Structures and electronic properties of germanium-doped Nin clusters, n = 13–23
- Авторы: Song W.1, Li H.2, He C.3, Zhang W.4
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Учреждения:
- 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
- Выпуск: Том 91, № 11 (2017)
- Страницы: 2180-2187
- Раздел: 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
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Аннотация
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.
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Об авторах
Wei Song
Physics and Electronic Engineering Department
Email: zhangw_bxx@jlu.edu.cn
Китай, Xinxiang, 453003
Hua-qiang Li
School of International Education and Exchange
Email: zhangw_bxx@jlu.edu.cn
Китай, Xinxiang, 453003
Chao-zheng He
Physics and Electronic Engineering College
Email: zhangw_bxx@jlu.edu.cn
Китай, Nanyang, 473061
Wei Zhang
International Joint Research Laboratory of Nano-Micro Architecture Chemistry and Institute of Theoretical Chemistry
Автор, ответственный за переписку.
Email: zhangw_bxx@jlu.edu.cn
Китай, Changchun, Jilin, 130012
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