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Structural stability, magneto-electronic properties, and tuning effects for transition metal-doped net-Y nanoribbons
Journal of Physics D: Applied Physics ( IF 3.1 ) Pub Date : 2020-09-03 , DOI: 10.1088/1361-6463/abac82
J K Hu , Z Q Fan , Z H Zhang , H Zhang

Low-dimensional carbon allotropes have attracted much attention due to their great potential for applications in future electronic and magnetic devices. Recently, new graphene-like nanoribbons consisting of four-, six-, and eight-membered carbon rings have been synthesized successfully, and a related two-dimensional structure net-Y was subsequently proposed. Here, we report theoretical investigations on the structural stability and magneto-electronic properties for the net-Y armchair nanoribbons doped with low-concentration transition metal (TM) atoms (Mn, Ni, Fe, Co, and V), especially focusing on their electric-magnetic and mechano-magnetic coupling effects. The calculated binding energy and molecular dynamics simulation confirm that all these ribbons hold a high stability. Particularly, by TM-doping, the intrinsic non-magnetic semiconducting ribbon can be converted to a bipolar magnetic semiconductor (BMS), a half metal (HM), or a spin-degenerate magnetic semiconductor (MSC),...

中文翻译:

过渡金属掺杂净Y型纳米带的结构稳定性,磁电特性和调谐效应

低维碳同素异形体因其在未来电子和磁性设备中的巨大应用潜力而备受关注。近来,已经成功地合成了由四元,六元和八元碳环组成的新的石墨烯状纳米带,随后提出了相关的二维结构net-Y。在这里,我们报告有关掺杂低浓度过渡金属(TM)原子(Mn,Ni,Fe,Co和V)的net-Y扶手椅纳米带的结构稳定性和磁电子性质的理论研究,尤其是它们的研究电磁和机械电磁耦合效应。计算出的结合能和分子动力学模拟证实所有这些带都具有很高的稳定性。特别是通过TM掺杂,
更新日期:2020-09-05
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