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| VOLUME 105 (2017) | ISSUE 4 | PAGE 235 |
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Structural, electronic, and magnetic properties of transition metal doped ReS2 monolayer
M. Luo+, Y. H. Shen*, T. L. Yin*×
+Department of Electronic Engineering, Shang Hai Jian Qiao University, 201306 Shanghai, P. R. China *Key Laboratory of Polar Materials and Devices, East China Normal University, 200241 Shanghai, P. R. China ×School of Electronics and Information, Nantong University, 226019 Nantong, P. R. China
Abstract
Magnetic properties of transition-metal (TM) atoms (TM = Co, Cu, Mn, Fe, and Ni) doped ReS2 monolayer are investigated by first-principles calculations. It is found that magnetism appears in the cases of Co, Fe, and Ni. Among all the samples, the Co-doped system has the largest magnetic moment. Therefore, we further study the interaction in the two-Co-doped system. Our results show that the interaction between two Co atoms is always ferromagnetic (FM), but such FM interaction is obviously depressed by the increasing Co-Co distance, which is well described by a simple Heisenberg model based on the Zener theory. Our results provide useful insight for promising applications of TM-doped ReS2 monolayer in the future. |