Twin grain boundary mediated ferromagnetic coupling in Co-doped ZnO: First-principles calculations

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• 作者：Jingjing Wu^a ; ^b ; Xin Tang^a ; ^b ; ^{xtang@glut.edu.cn} ; Chunying Pu^c ; Fei Long^a ; ^b ; Biyu Tang^d
• 关键词：A. Dilute magnetic semiconductor ; C. Twin grain boundary ; E. First principle calculation
• 刊名：Solid State Communications
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：250
• 期：Complete
• 页码：41-44
• 全文大小：719 K
• 卷排序：250

文摘

The twin grain boundary can favor the formation of the Co-Co dimer in Co-doped ZnO. The dimer in FM state is 0.18 eV higher than that in AFM state. The twin grain boundary can mediate the FM coupling between the dimers. Due to the sructural character of the twin grain boundary, the macroscopic FM ordering is expected.