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

机译：在硅表面上制造半金属线的可能反应途径

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摘要

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.
机译：基于第一性原理的电子结构计算和分子动力学模拟，提出了一种在氢钝化的Si（001）表面上制备半金属钼硼夹心分子线的可能反应途径。分子线化学键合到硅表面，在室温下稳定。有趣的是，分子线的基本性能不受Si衬底的影响很大。此外，它们的电子和磁性可通过外部电场调节，这使分子线可用作信息存储设备的分子开关或基本组件，从而导致在未来的分子电子和自旋电子设备中的应用。

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  • 来源
    《Advanced Functional Materials》 |2013年第18期|2233-2238|共6页
  • 作者

    Yun Hao Lu; Hongmei Jin; Hongjun Zhu; Shuo-Wang Yang; Chun Zhang; Jian Zhong Jiang; Yuan Ping Feng;

  • 作者单位

    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,Department of Physics National University of Singapore Singapore 11 7542, Singapore;

    Institute of High Performance Computing Agency for Science, Technology and Research;

    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;

    Institute of High Performance Computing Agency for Science, Technology and Research;

    Department of Physics National University of Singapore Singapore 11 7542, Singapore;

    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;

    Department of Physics National University of Singapore Singapore 11 7542, Singapore;

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