| Magnetism of Zr atomic wires |
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| 引用本文： | 朱志立,王建涛,贾金锋,薛其坤,王鼎盛. Magnetism of Zr atomic wires[J]. 中国物理, 2005, 14(10): 2106-2109 |
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| 作者姓名： | 朱志立 王建涛 贾金锋 薛其坤 王鼎盛 |
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| 作者单位： | State Key Laboratory for Surface Physics, Institute of Physics, ChineseAcademy of Sciences, Beijing 100080, China;State Key Laboratory for Surface Physics, Institute of Physics, ChineseAcademy of Sciences, Beijing 100080, China;State Key Laboratory for Surface Physics, Institute of Physics, ChineseAcademy of Sciences, Beijing 100080, China;State Key Laboratory for Surface Physics, Institute of Physics, ChineseAcademy of Sciences, Beijing 100080, China;State Key Laboratory for Surface Physics, Institute of Physics, ChineseAcademy of Sciences, Beijing 100080, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant No 10234010). |
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| 摘 要： | By using the full-potential linearized augmented plane wave method to perform ab initio total energy calculations, we have explored magnetic ordering in one-dimensional Zr wires. The result shows that Zr can form linear, or dimerized, or zigzag wires, and the magnetic properties strongly depend on their geometric structures. The linear and zigzag wires exhibit ferromagnetic ground states at the equilibrium bonding distance, while the dimerized wire, despite its higher stability than that of the linear one, exhibits nonmagnetic ground states. The most stable geometry is shown to be the zigzag wire with a magnetic moment of 0.26μB per atom.
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| 关 键 词： | 铁磁体 锆原子 金属丝 几何结构 稳定性 |
| 收稿时间： | 2005-03-22 |
| 修稿时间： | 2005-03-222005-06-20 |
Magnetism of Zr atomic wires |
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| Zhu Zhi-Li,Wang Jian-Tao,Jia Jin-Feng,Xue Qi-Kun and Wang Ding-Sheng. Magnetism of Zr atomic wires[J]. Chinese Physics, 2005, 14(10): 2106-2109 |
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| Authors: | Zhu Zhi-Li Wang Jian-Tao Jia Jin-Feng Xue Qi-Kun Wang Ding-Sheng |
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| Affiliation: | State Key Laboratory for Surface Physics, Institute of Physics, ChineseAcademy of Sciences, Beijing 100080, China |
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| Abstract: | By using the full-potential linearized augmented plane wave method toperform ab initio total energy calculations, we have explored magnetic ordering in one-dimensional Zr wires. The result shows that Zr can form linear, or dimerized, or zigzag wires, and the magnetic properties strongly depend on their geometric structures.The linear and zigzag wires exhibit ferromagnetic ground states at the equilibrium bonding distance, while the dimerized wire, despite its higher stability than that of the linear one,exhibits nonmagnetic ground states. The most stable geometry is shown to be the zigzag wire with a magnetic moment of 0.26 mu _B per atom. |
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| Keywords: | magnetism Zr atomic wire ab initio calculations |
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