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Electronic Structure and Magnetic Properties of Ti-Doped ZnO

机译:Ti-Doped ZnO的电子结构和磁性

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Recent experiments suggest that Ti doped ZnO can be a promising room temperature dilute magnetic semiconductor (DMS) and a potentially useful material for spintronic devices. Furthermore, the fact that Ti doped ZnO shows ferromagnetic behaviour despite it contains no magnetic element makes this system good candidate for theoretical investigation regarding the controversies about the origin of ferromagnetic ordering in TM-doped ZnO. In this work, the density functional theory (DFT) is used to calculate the electronic and magnetic structures of Ti-doped ZnO. The obtained results are used to discuss the origin of the ferromagnetism, and the contribution of different atoms in the magnetic moment.
机译:最近的实验表明Ti掺杂的ZnO可以是有希望的室温稀释磁半导体(DMS)和用于旋转式装置的可能有用的材料。此外,Ti掺杂的ZnO表示铁磁性行为尽管它不含磁性元件,但该系统使得关于TM掺杂ZnO中铁磁性排序起源的争议的理论研究的良好候选者。在这项工作中,使用密度泛函理论(DFT)来计算Ti掺杂ZnO的电子和磁性结构。所得结果用于讨论铁磁性的起源,以及不同原子在磁矩中的贡献。

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