Ab initio study of magnetic properties in the adsorption of transition-metal atoms on arsenene
- Авторлар: Luo M.1, Shen Y.H.2, Yin T.L.3
-
Мекемелер:
- Department of Electronic Engineering
- Key Laboratory of Polar Materials and Devices
- School of Electronics and Information
- Шығарылым: Том 104, № 8 (2016)
- Беттер: 557-562
- Бөлім: Condensed Matter
- URL: https://journals.rcsi.science/0021-3640/article/view/159611
- DOI: https://doi.org/10.1134/S0021364016200029
- ID: 159611
Дәйексөз келтіру
Аннотация
The magnetic properties of adsorption of different transition-metal (TM) atoms (Co, Cu, Mn, Fe, and Ni) on arsenene are investigated using density functional theory (DFT). Magnetism appears in the cases of Co, Mn, and Fe. Among all the magnetic cases, the TM atom prefers the same adsorption site. Then, we further study the interaction in two-TM-adsorbed system and different magnetic states are observed. Our results show that both nonmagnetic and ferromagnetic states exist in two-Co-adsorbed system and the p-d hybridization mechanism results in its ferromagnetic state. However, for two Mn and two Fe adsorbed systems, an AFM interaction is found, which could be reasonably explained by the superexchange mechanism. Such multiple magnetic properties may suggest promising applications of TM-adsorbed arsenene in the future.
Авторлар туралы
M. Luo
Department of Electronic Engineering
Хат алмасуға жауапты Автор.
Email: mluo@gench.edu.cn
ҚХР, Shanghai, 201306
Y. Shen
Key Laboratory of Polar Materials and Devices
Email: mluo@gench.edu.cn
ҚХР, Shanghai, 200241
T. Yin
School of Electronics and Information
Email: mluo@gench.edu.cn
ҚХР, Nantong, 226019
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