A Possible Reaction Pathway to Fabricate a Half‐Metallic Wire on a Silicon Surface |
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| Authors: | Yun Hao Lu Hongmei Jin Hongjun Zhu Shuo‐Wang Yang Chun Zhang Jian Zhong Jiang Yuan Ping Feng |
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| Affiliation: | 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;3. Institute of High Performance Computing, Agency for Science, Technology and Research, 1 Fusionopolis Way, #16‐16 Connexis, Singapore 138632, Singapore;4. Department of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, P. R. China;5. Department of Chemistry, National University of Singapore, Singapore 117543, Singapore;6. State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027, P. R. China |
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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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| Keywords: | molecular wires borine sandwich structures molecular electronics surface reactions |
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