Ferromagnetism in zigzag GaN nanoribbons with tunable half-metallic gap
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- 作者：Kai-Wu Luoa ; Liang Xua ; b ; 1 ; liangxu@hnu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Ling-Ling Wanga ; llwang@hnu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Quan Lia ; Zhiyong Wangc
- 关键词：First-principles calculations ; GaN nanoribbons ; Half metal ; Ferromagnetism
- 刊名：Computational Materials Science
- 出版年：2016
- 出版时间：May 2016
- 年：2016
- 卷：117
- 期：Complete
- 页码：300-305
- 全文大小：2608 K
文摘
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The ZGaNNRs with hydrogenated nitrogen edge are wide band-gap semiconductors.
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The ZGaNNRs with unpassivated nitrogen edge are half metals with ferromagnetism.
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The half-metallicity results from the interaction between N-2p and Ga-4p orbitals.
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The band gap of only gallium edge hydrogenated ZGaNNRs can be tuned in a wide range.