| Cu掺杂ZnS纳米线结构和磁性质 |
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| 引用本文： | 李俊生,谢建明,庄国策.Cu掺杂ZnS纳米线结构和磁性质[J].四川大学学报(自然科学版),2017,54(5):1026-1028. |
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| 作者姓名： | 李俊生 谢建明 庄国策 |
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| 作者单位： | 盐城师范学院新能源与电子工程学院,盐城师范学院新能源与电子工程学院,盐城师范学院新能源与电子工程学院 |
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| 摘 要： | 本文采用第一性原理密度泛函理论系统地研究了Cu原子掺杂ZnS纳米线的结构、电子性质和磁性质.所有掺杂纳米线的形成能比纯纳米线的形成能低,说明掺杂过程是放热的.并且Cu原子趋于替代纳米线的表面的Zn原子.电子结构显示Cu掺杂纳米线是半金属铁磁半导体材料,在自旋电子学方面有重要应用.
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| 关 键 词： | 纳米线 电子性质 磁性质 密度泛函理论 |
| 收稿时间： | 2016/3/30 0:00:00 |
| 修稿时间： | 2016/5/3 0:00:00 |
Structures and magnetic properties of Cu-doped ZnS nanowires |
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| LI Jun-Sheng,XIE Jian-Ming and ZHUANG Guo-Ce.Structures and magnetic properties of Cu-doped ZnS nanowires[J].Journal of Sichuan University (Natural Science Edition),2017,54(5):1026-1028. |
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| Authors: | LI Jun-Sheng XIE Jian-Ming and ZHUANG Guo-Ce |
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| Institution: | College of New Energy and Electronic Engineering, Yancheng Teachers University,College of New Energy and Electronic Engineering, Yancheng Teachers University and College of New Energy and Electronic Engineering, Yancheng Teachers University |
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| Abstract: | The electronic and magnetic properties of ZnS nanowires doped with Cu atoms are comparatively studied in terms of the first-principles calculation. The formation energies of doped nanowires are smaller than that of the pristine one, indicating that the doing process is an exothermic reaction. The calculation shows Cu atom preferring to the surface position. The electronic structures show that ZnS doped with Cu atoms are the half-metallic ferromagnetic semiconductors and have important applications in spintronics. |
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| Keywords: | Nanowire electronic property Magnetic property Density functional theory |
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