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Journal of Materials Science

, Volume 51, Issue 20, pp 9504–9513 | Cite as

Tunable electronic structures and magnetism in arsenene nanosheets via transition metal doping

  • Juan Du
  • Congxin Xia
  • Yipeng An
  • Tianxing Wang
  • Yu Jia
Original Paper

Abstract

Based on density-functional theory, the electronic structures and magnetism of 3d transition metal (TM)-doped arsenene nanosheets are investigated by means of first-principles methods. The results show that Sc- and Co-doped arsenene nanosheets possess the nonmagnetic semiconducting properties, while Ti, Cr, and Cu substituting As atom can induce dilute magnetic semiconductor phase. Moreover, half-metal properties are induced in the V-, Mn-, Fe-, and Ni-doped arsenene nanosheets. In addition, results also show that Ti-, V-, Mn-, and Fe-doped arsenene nanosheets present ferromagnetic coupling, whereas Cr substitutional doping results in an antiferromagnetic coupling under their most stable configuration. These results indicate that TM doping can tune effectively the electronic and magnetic properties in the arsenene nanosheets.

Keywords

Stable Configuration Transition Metal Atom Minority Spin Substitutional Doping Calculated Magnetic Moment 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgements

This research was supported by the National Natural Science Foundation of China under Grant No. U1304518. The calculations are also supported by the High Performance Computing Center of Henan Normal University.

Compliance with ethical standards

Conflict of interest

The authors declare that they have no conflict of interest.

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Copyright information

© Springer Science+Business Media New York 2016

Authors and Affiliations

  • Juan Du
    • 1
  • Congxin Xia
    • 1
  • Yipeng An
    • 1
  • Tianxing Wang
    • 1
  • Yu Jia
    • 2
  1. 1.Department of PhysicsHenan Normal UniversityXinxiangChina
  2. 2.School of Physics and EngineeringZhengzhou UniversityZhengzhouChina

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