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Journal of Superconductivity and Novel Magnetism

, Volume 31, Issue 8, pp 2431–2436 | Cite as

A FirstPrinciple Study on the Magnetic Properties of Ag, Al, Li, Mg, and NaDoped ReS2 Monolayers

  • M. Luo
  • Y. E. Xu
Original Paper
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Abstract

Magnetic properties of ReS2 monolayer doped with nonmagnetic metals (Ag, Al, Li, Mg, and Na) are studied by the first-principle method Different dopants and doping sites are considered. Similar to transition metal (TM) atoms, magnetic behavior appears in Al and Mg-doped systems. On the other hand, the calculated binding energies show that the Al-doped system has a more stable-formed system than the Mg-doped system. Hence, we study the ferromagnetic interaction in two Al-doped ReS2 monolayers. Interestingly, as the Al–Al distance increases, both ferromagnetic (FM) and nonmagnetic (NM) states are found. Our results deem that the FM coupling originates from a p-d exchange-like p-p coupling interaction.

Keywords

2D-ReS2 Nonmagnetic metal FM interaction DFT calculations 
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Notes

Funding Information

We thank the Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University (ECNU). Our work is supported by the Supercomputer Center of ECNU.

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Authors and Affiliations

  1. 1.Department of PhysicsShanghai Polytechnic UniversityShanghaiChina
  2. 2.Department of Electronic EngineeringShang Hai Jian Qiao UniversityShanghaiChina

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