Enhanced magnetic properties and tunable Dirac point of graphene/Mn-doped monolayer MoS2 heterostructures

Tan, Qiuhong1,2; Wang, Qianjin1,2; Liu, Yingkai1,2; Liu, Chunsheng1; Feng, Xiaobo1,2; Yu, Dapeng3,4

2018-08

10.1088/1361-648X/aacca2

JOURNAL OF PHYSICS-CONDENSED MATTER   影响因子和分区

0953-8984

1361-648X

Graphene is one of the most promising spintronic materials due to its high carrier mobility. However, the absence of a band gap and ferromagnetic order in graphene seriously limit its applications in spintronics. How to utilize its high carrier mobility as well as mediate its electronic structure remains a challenge. Herein, we design a novel composite, which is composed of graphene and Mn-doped monolayer MoS2. The magnetic properties and electronic structures of graphene/Mn-doped monolayer MoS2 heterostructures were studied by using density functional theory (DFT) with the van der Waals (vdW) correlations (DFT-D). We found that the heterostructures show increased magnetic moments and more stable ferromagnetic (FM) states compared with that of isolated Mn-doped MoS2 monolayer. Our further studies show that many electrons are transferred to Mn-doped MoS2 monolayer from graphene, which causes the Fermi level to shift down below the Dirac cone about 0.59 eV. The transfered electrons also enhance the FM coupling between Mn ions. Graphene is partially spin polarized because of the magnetic proximity effect, which leads to the spin-dependent gaps for spin-up (16.1 meV) and spin-down (5 meV) at Dirac point, respectively. The introduction of sulfur (S) vacancy to the interface results in a much more stable FM structure and a higher total magnetic moment of the FM state; furthermore, it raises the spin polarization of graphene pi orbitals and opens up a small band gap of about 7 meV. These findings propose a new route to facilitate the design of spintronic devices which both need stable ferromagnetism and finite band gap.

ferromagnetism Dirac point heterostructures sulfur vacancy density functional theory

SCI ; EI

英语

其他

Innovative talents of Science and Technology Plan Projects of Yunnan Povince[2012HA007]

Physics

Physics, Condensed Matter

WOS:000437667000002

IOP PUBLISHING LTD

20182905559643

Carrier mobility ; Density functional theory ; Design for testability ; Electronic structure ; Energy gap ; Ferromagnetic materials ; Ferromagnetism ; Frequency modulation ; Heterojunctions ; Interface states ; Layered semiconductors ; Magnetic moments ; Magnetic properties ; Manganese compounds ; Molybdenum compounds ; Monolayers ; Spin polarization ; Spintronics ; Van der Waals forces

Magnetism: Basic Concepts and Phenomena:701.2 ; Magnetic Materials:708.4 ; Semiconducting Materials:712.1 ; Semiconductor Devices and Integrated Circuits:714.2 ; Nanotechnology:761 ; Chemical Products Generally:804 ; Classical Physics; Quantum Theory; Relativity:931 ; High Energy Physics; Nuclear Physics; Plasma Physics:932 ; High Energy Physics:932.1

PHYSICS

Web of Science

1.Yunnan Normal Univ, Coll Phys & Elect Informat, Kunming 650500, Yunnan, Peoples R China
2.Yunnan Normal Univ, Yunnan Prov Key Lab Photoelect Informat Technol, Kunming 650500, Yunnan, Peoples R China
3.South Univ Sci & Technol China, Inst Quantum Sci & Engn, Shenzhen 518055, Peoples R China
4.South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China

Tan, Qiuhong,Wang, Qianjin,Liu, Yingkai,et al. Enhanced magnetic properties and tunable Dirac point of graphene/Mn-doped monolayer MoS2 heterostructures[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2018,30(30).

Tan, Qiuhong,Wang, Qianjin,Liu, Yingkai,Liu, Chunsheng,Feng, Xiaobo,&Yu, Dapeng.(2018).Enhanced magnetic properties and tunable Dirac point of graphene/Mn-doped monolayer MoS2 heterostructures.JOURNAL OF PHYSICS-CONDENSED MATTER,30(30).

Tan, Qiuhong,et al."Enhanced magnetic properties and tunable Dirac point of graphene/Mn-doped monolayer MoS2 heterostructures".JOURNAL OF PHYSICS-CONDENSED MATTER 30.30(2018).