First-Principles Study of the Structures and Electronic Properties of Nin–1Al (n = 2-20) Clusters


Дәйексөз келтіру

Толық мәтін

Ашық рұқсат Ашық рұқсат
Рұқсат жабық Рұқсат берілді
Рұқсат жабық Тек жазылушылар үшін

Аннотация

The electronic properties, such as binding energy, magnetic property, charge transfer, ionization potential, and electron affinity, of Nin–1Al (n = 2-20) neutral and ionic clusters are studied using the density functional theory calculations with the PBE exchange-correlation energy functional. The calculated total magnetic moments and ionization potential can decrease and increase with the addition of the Al atom, respectively. The calculated electron affinity has occurred with no significant change, except the Ni16Al cluster.

Авторлар туралы

W. Song

Physics and Electronic Engineering Department

Email: hecz2013@nynu.edu.cn
ҚХР, Xinxiang

B. Wang

Physics and Electronic Engineering Department

Email: hecz2013@nynu.edu.cn
ҚХР, Xinxiang

H.-Q. Li

School of International Education and Exchange

Email: hecz2013@nynu.edu.cn
ҚХР, Xinxiang

J.-L. Wang

Physics and Electronic Engineering Department

Email: hecz2013@nynu.edu.cn
ҚХР, Xinxiang

C. He

Physics and Electronic Engineering College

Хат алмасуға жауапты Автор.
Email: hecz2013@nynu.edu.cn
ҚХР, Nanyang

Қосымша файлдар

Қосымша файлдар
Әрекет
1. JATS XML

© Pleiades Publishing, Ltd., 2018