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首页> 外文期刊>Physica Scripta: An International Journal for Experimental and Theoretical Physics >Magnetism in transition metal (Fe, Ni) co-doped 4H-SiC: a first-principles study
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Magnetism in transition metal (Fe, Ni) co-doped 4H-SiC: a first-principles study

机译：过渡金属磁性（Fe，Ni）共掺杂4H-SIC：一项第一原理研究

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摘要

The electronic structure and magnetic properties of (Fe, Ni) co-doped 4H-SiC-based dilute magnetic semiconductors were investigated by first-principles calculations. The (Fe, Ni) co-doped 4H-SiC exist spin-polarization due to the introduction of dopant atoms, resulting in splitting. The co-doped system is more prone to a ferromagnetic state, and the magnetization energy is larger than some known room temperature diluted magnetic semiconductors, indicating that the room temperature ferromagnetism (FM) is higher. The results show that the (Fe, Ni) co-doped 4H-SiC system is ferromagnetic at room temperature with Delta E-FM -398.8 meV. The (Fe, Ni) co-doped 4H-SiC system exhibits strong magnetic properties due to strong coupling between Fe and Ni, resulting in strong spin polarization of nearby C atoms. We also studied the effect of silicon vacancies in the (Fe, Ni) co-doped 4H-SiC system. The results show that all the configurations are FM, and the FM is significantly reduced compared with the system without silicon vacancies. These results have potential applications in electronic or spintronic devices.
机译：通过第一原理计算研究了（Fe，Ni）共掺杂的4H-SiC基稀磁半导体的电子结构和磁性。由于引入掺杂剂原子而导致（Fe，Ni）共掺杂的4H-SiC存在旋转极化，导致分裂。共掺杂的系统更容易发生铁磁性状态，并且磁化能量大于一些已知的室温稀释的磁半导体，表明室温铁磁性（FM）更高。结果表明，（Fe，Ni）共掺杂的4H-SIC系统是ΔE-FM -398.8 MEV的室温下是铁磁性的。 （Fe，Ni）共掺杂的4H-SiC系统由于Fe和Ni之间的强耦合而表现出强磁性，导致附近C原子的强自旋偏振。我们还研究了（Fe，Ni）共掺杂的4H-SIC系统中硅空位的影响。结果表明，所有配置都是FM，与没有硅空位的系统相比，FM显着降低。这些结果具有电子或旋转式设备的潜在应用。

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