Reduction of defect-induced ferromagnetic stability in passivated ZnO nanowires

First-principles calculations are performed to study the electronic structures and magnetic properties of ZnO nanowires（NM）. Our results indicate that the single Zn defect can induce large local magnetic moment（～ 2μB） in the ZnO NWs, regardless of the surface modification. Interestingly, we find tha...

Full description

Saved in:
Bibliographic Details
Published inChinese physics B Vol. 24; no. 3; pp. 349 - 352
Main Author 吴芳 孟培雯 罗康 刘云飞 阚二军
Format Journal Article
LanguageEnglish
Published 01.03.2015
Subjects
Defects
Ferromagnetism
Magnetic moment
Magnetic properties
Mathematical analysis
Nanowires
Passivation
Wire
Zinc oxide
ZnO
氧化锌纳米线
磁稳定
第一原理计算
缺陷
自旋相互作用
钝化
铁磁性
Online AccessGet full text
ISSN1674-1056
2058-3834
1741-4199
DOI10.1088/1674-1056/24/3/037504

Cover

More Information
Summary:First-principles calculations are performed to study the electronic structures and magnetic properties of ZnO nanowires（NM）. Our results indicate that the single Zn defect can induce large local magnetic moment（～ 2μB） in the ZnO NWs, regardless of the surface modification. Interestingly, we find that local magnetic defects have strong spin interaction, and favor room-temperature ferromagnetism in bared ZnO NW. On the other hand, although H passivation does not destroy the local magnetic moment of Zn vacancy, it does greatly reduce the spin interaction between magnetic defects. Therefore, our results indicate that H passivation should be avoided in the process of experiments to maintain the room-temperature ferromagnetism.
Bibliography:Wu Fang, Meng Pei-Wen, Luo Kang, Liu Yun-Fei, and Kan Er-Jun（ a） School of Science, Nanjing Forestry University, Nanjing 210037, China ;b） College of Information Science and Technology, Nanjing Forestry University, Nanjing 210037, China;c） Key Laboratory of Soft Chemistry and Functional Materials （Ministry of Education）, and Department of Applied Physics Nanjing University of Science and Technology, Nanjing 210094, China
11-5639/O4
vacancy,magnetic interaction,ZnO nanowires,DFT calculations
First-principles calculations are performed to study the electronic structures and magnetic properties of ZnO nanowires（NM）. Our results indicate that the single Zn defect can induce large local magnetic moment（～ 2μB） in the ZnO NWs, regardless of the surface modification. Interestingly, we find that local magnetic defects have strong spin interaction, and favor room-temperature ferromagnetism in bared ZnO NW. On the other hand, although H passivation does not destroy the local magnetic moment of Zn vacancy, it does greatly reduce the spin interaction between magnetic defects. Therefore, our results indicate that H passivation should be avoided in the process of experiments to maintain the room-temperature ferromagnetism.
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1674-1056
2058-3834
1741-4199
DOI:10.1088/1674-1056/24/3/037504