Ab initio study of magnetic properties in the adsorption of transition-metal atoms on arsenene |
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| Authors: | M Luo Y H Shen T L Yin |
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| Institution: | 1.Department of Electronic Engineering,Shang Hai Jian Qiao University,Shanghai,People’s Republic of China;2.Key Laboratory of Polar Materials and Devices,East China Normal University,Shanghai,People’s Republic of China;3.School of Electronics and Information,Nantong University,Nantong,People’s Republic of China |
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| Abstract: | 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. |
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