A Possible Reaction Pathway to Fabricate a Half-Metallic Wire on a Silicon Surface

Authors

  • Yun Hao Lu,

    Corresponding author
    1. International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, P. R. China
    2. Department of Physics, National University of Singapore, Singapore 117542, Singapore
    • Yun Hao Lu, International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, P. R. China

      Shuo-Wang Yang, Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore.

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  • Hongmei Jin,

    1. Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore
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  • Hongjun Zhu,

    1. Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, P. R. China
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  • Shuo-Wang Yang,

    Corresponding author
    1. Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore
    • Yun Hao Lu, International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, P. R. China

      Shuo-Wang Yang, Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore.

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  • Chun Zhang,

    1. Department of Physics, National University of Singapore, Singapore 117542, Singapore
    2. Department of Chemistry, National University of Singapore, Singapore 117543, Singapore
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  • Jian Zhong Jiang,

    1. International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, P. R. China
    2. State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027, P. R. China
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  • Yuan Ping Feng

    1. Department of Physics, National University of Singapore, Singapore 117542, Singapore
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Abstract

Based on first-principles electronic structure calculations and molecular dynamics simulations, a possible reaction pathway for fabricating half-metallic Mo-borine sandwich molecular wires on a hydrogen-passivated Si(001) surface is presented. The molecular wire is chemically bonded to the silicon surface and is stable up to room temperature. Interestingly, the essential properties of the molecular wire are not significantly affected by the Si substrate. Furthermore, their electronic and magnetic properties are tunable by an external electric field, which allows the molecular wire to function as a molecular switch or a basic component for information storage devices, leading to applications in future molecular electronic and spintronic devices.

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