Metallic and ferromagnetic edges in molybdenum disulfide nanoribbons
Metallic and ferromagnetic edges in molybdenum disulfide nanoribbons
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DOI：
10.1088/0957-4484/20/32/325703
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发表时间：
2009-08-12
期刊：
影响因子：
3.5
通讯作者：
Terrones, H.
中科院分区：
文献类型：
--
作者：
Botello-Mendez, A. R.;Lopez-Urias, F.;Terrones, H.
采用LSDA-DFT方法研究了锯齿形和扶手椅形MoS 2纳米带的磁性和电子性质。我们发现，由于边缘态的影响，纳米带的性质与体态MoS 2有很大不同。扶手椅型纳米带可以是金属的，并表现出磁矩;然而，当用氢钝化时，它们变成半导体。锯齿形纳米带是金属的，并且无论钝化与否都表现出不寻常的磁性。我们的研究结果可以解释最近的证据表明，铁磁性的扁平二硫化钼团簇，并激励合成新的二硫化钼纳米系统。
The magnetic and electronic properties of MoS2 nanoribbons with zigzag and armchair edges are investigated using LSDA-DFT. We found that the properties of the nanoribbons are very different from bulk MoS2 due to edge states. Armchair nanoribbons could be metallic and exhibit a magnetic moment; however, when passivating with hydrogen, they become semiconducting. Zigzag nanoribbons are metallic and exhibit unusual magnetic properties regardless of passivation. Our results could explain the recent evidence of ferromagnetism in flat MoS2 clusters, and motivate the synthesis of novel MoS2 nanosystems.