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Magnetic Behaviors of 3d Transition Metal-Doped Silicane: a First-Principle Study

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Abstract

We perform a first-principle computation on the magnetic properties of 3d transition metal (TM)-doped silicane. All the substituted systems are energetically stable. Robust half-metallic properties are found in Ti-, V- and Mn-substituted silicane. At the dopant concentration of 12.5%, we evaluate that the Curie temperature of Ti- and Mn-substituted silicane is at 340 and 666 K respectively in the mean-field approximation. Consequently, room-temperature ferromagnetism is easily achievable in Ti- and Mn-substituted silicane. Our work demonstrates potential application of Ti and Mn-substituted silicane for room-temperature spintronic devices.

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Acknowledgements

Figures 1, 5 and 6 were generated using the VESTA program [69].

Funding

This study was funded by the National Science Foundation for Young Scientists of China (grant number 11704165), the Science Foundation of Guizhou Science and Technology Department (grant number QKHJZ[2015]2150), the Science Foundation of Guizhou Provincial Education Department (grant number QJHKYZ[2016]092), as well as the Science Foundation of Jinling Institute of Technology (grant number 40620064).

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  1. Department of Fundamental Courses, Jinling Institute of Technology, Nanjing, 211169, China

    Sake Wang

  2. School of Materials Science and Engineering, Southeast University, Nanjing, 211189, China

    Jin Yu

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Wang, S., Yu, J. Magnetic Behaviors of 3d Transition Metal-Doped Silicane: a First-Principle Study. J Supercond Nov Magn 31, 2789–2795 (2018). https://doi.org/10.1007/s10948-017-4532-4

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