Roles of oxygen vacancy on ferromagnetism in Ni doped In2O3: A hybrid functional study
Roles of oxygen vacancy on ferromagnetism in Ni doped In2O3: A hybrid functional study
复制标题
氧空位对 Ni 掺杂 In2O3 铁磁性的作用：混合功能研究
DOI：
10.1016/j.jmmm.2013.08.001
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发表时间：
2013-05
影响因子：
2.7
通讯作者：
Y. Kawazoe
中科院分区：
文献类型：
--
作者：
H.-P. He;D.-M. Ma;H. Mizuseki;Y. Kawazoe
The roles of oxygen vacancies on the electronic and magnetic properties of Ni doped In2O3have been studied by first-principles calculations based on hybrid functional theory. Our results predict that the Ni-doped In2O3system displays a ferromagnetic semiconducting character. However, the presence of oxygen vacancies results in antiferromagnetic coupling between the neighboring Ni pair bridged by an oxygen vacancy. The antiferromagnetic coupling is found to arise from the predominant role of superexchange due to the strong Ni 3d–O 2phybridization. Consequently, the oxygen vacancies play a key role in the lower saturation magnetization of Ni:In2O3polycrystalline sample, as observed in experiments.
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