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Tunable electronic and magnetic properties of transition metals doped antimonene: a first-principles study
发布时间：2025-04-30
- 论文名称：
- Tunable electronic and magnetic properties of transition metals doped antimonene: a first-principles study
- 发表刊物：
- MATERIALS RESEARCH EXPRESS
- 摘要：
- The structural, electronic and magnetic properties of transition metals (TMs)-doped (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni and Cu) antimonene have been systematically investigated by first-principles density functional theory. The calculation results indicate that V, Cr, Mn, Fe, Co, Cu-doping induces the magnetic moment, Cr-doped antimonene exhibits diluted magnetic semiconductor property with the magnetic moments of 3 mu(B), and V, Mn and Co-doping induces a half-metallic characteristic. In addition, the biaxial strain can effectively modulate the band gap of TMs-doped antimonene. More importantly, the semiconductor property of Sc and Ti doping systems exhibit direct-indirect-direct transitions under external biaxial strain. Our works demonstrate that the intriguing and diverse properties of TMs-doped antimonene systems may manifest potential applications in nanoelectronics, spintronics and magnetic storage devices.
- 合写作者：
- C. He, M. Cheng, W.X. Zhang
- 卷号：
- 卷: 5 期: 6
- 页面范围：
- 065059
- 是否译文：
- 否
- 发表时间：
- 2018-06-13
