| Magnetic and Electronic Properties of β-Graphyne Doped with Rare-Earth Atoms |
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| 引用本文： | 任娟,张松斌,刘萍萍.Magnetic and Electronic Properties of β-Graphyne Doped with Rare-Earth Atoms[J].中国物理快报,2019(7):61-65. |
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| 作者姓名： | 任娟 张松斌 刘萍萍 |
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| 基金项目： | Supported by the Scientific Research Plan Projects of Shannxi Education Department under Grant No 17JK0366;the Natural Science Foundation of Shaanxi Science and Technology Department under Grant Nos 2018JQ1042,2017ZDXM-GY-114 and 2018GY-044 |
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| 摘 要： | Structural, electronic and magnetic properties of La-, Ce-, Pr-, Nd-, Pm-, Sm-and Eu-doped β-graphyne are investigated by comprehensive ab initio calculation based on density functional theory. The adsorption energies indicate that the dopings are suitable. The doped -graphyne undergoes transition from semiconductor to metal.Furthermore, the doping of Nd, Pm, Sm and Eu atoms can induce magnetization. The results are useful for spintronics and the design of future electronic devices.
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| 关 键 词： | Structural by COMPREHENSIVE ab ELECTRONIC devices |
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