Ferromagnetism of 1T’-MoS2 Nanoribbons stabilized by edge reconstruction and its periodic variation on nanoribbons width,Journal of the American Chemical Society

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Ferromagnetism of 1T’-MoS2 Nanoribbons stabilized by edge reconstruction and its periodic variation on nanoribbons width
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2018-11-09 , DOI: 10.1021/jacs.8b09247
Kaiyun Chen ₁ , Junkai Deng ₁ , Xiangdong Ding ₁ , Jun Sun ₁ , Sen Yang ₁ , Jefferson Zhe Liu ₂

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Nanoribbons (NRs) of two-dimensional (2D) materials have attracted intensive research interests because of exotic physical properties at edges as well as tunable properties via width control. In this paper, using density functional theory (DFT) calculations, we discover sensitive dependence of magnetic properties of 1T'-MoS2 NRs, that is, periodic variation of magnetic moments between 0.1 and 1.2 μ B, on NR width (even or odd number of MoS2 units). Our results reveal that a special edge reconstruction, which is not recognized before, stabilizes the ferromagnetic (FM) ground state. Our results also suggest that the FM state could be stable under ambient condition. This study indicates a promising means to integrate multiple magnetic units for small-scale functional devices, such as information storage and spintronics, on a single piece of MoS2 NR by designing segments with different width.

中文翻译：

通过边缘重建稳定的 1T'-MoS2 纳米带的铁磁性及其对纳米带宽度的周期性变化

二维 (2D) 材料的纳米带 (NRs) 因其边缘奇异的物理特性以及通过宽度控制的可调特性而引起了广泛的研究兴趣。在本文中，使用密度泛函理论 (DFT) 计算，我们发现 1T'-MoS2 NRs 的磁性能对 NR 宽度（偶数或奇数）的敏感依赖性，即磁矩在 0.1 和 1.2 μ B 之间的周期性变化MoS2 单位）。我们的结果表明，以前没有发现的特殊边缘重建稳定了铁磁 (FM) 基态。我们的结果还表明，FM 状态在环境条件下是稳定的。这项研究表明了一种将多个磁性单元集成到小型功能设备（如信息存储和自旋电子学）中的有前景的方法，

更新日期：2018-11-09

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