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For the development of high performance magnetic devices, inducing magnetism in non-magnetic materials and flexibly regulating their magneto-electronic properties are very important. According to the density functional theory (DFT), we systematically study the structural stability, magneto-electronic properties, carrier mobility and strain effect for each of armchair arsenene nanotubes doped with non-metallic atoms X( X= B, N, P, Si, Se, Te). The calculated binding energy and formation energy confirm that the geometric stability of AsANT- Xis high. With non-metal doping, each of AsANT- X( X= B, N, P) acts as a non-magnetic semiconductor, while each of AsANT- X( X= Si, Se, Te) behaves as a bipolar magnetic semiconductor, caused by the unpaired electrons occurring between X and As. Furthermore, by doping, the carrier mobility of AsANT- Xcan be flexibly moved to a wide region, and the carrier polarity and spin polarity in mobility can be observed as well. Especially, AsANT-Si can realize a transition among bipolar magnetic semiconductor, half-semiconductor, magnetic metal, and non-magnetic metal by applying strain, which is useful for designing a mechanical switch to control spin-polarized transport that can reversibly work between magnetism and demagnetism only by applying strain. This study provides a new way for the application of arsenene.
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Keywords:
- armchair arenene nanotube/
- non-metallic doping/
- magneto-electronic properties/
- carrier mobility/
- strain effect
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结构 Eb/(eV/原子) Ef/(eV/原子) d1,d2,d3/Å 类型 AsANT-B –5.248 –0.004 2.055, 2.046, 2.055 NMS AsANT-N –5.279 –0.035 2.043, 2.043, 2.043 NMS AsANT-P –5.256 –0.012 2.421, 2.419, 2.422 NMS AsANT-Si –5.210 0.032 2.413, 2.424, 2.412 BMSC AsANT-Se –5.167 0.075 2.785, 2.503, 2.784 BMSC AsANT-Te –5.170 0.074 2.857, 2.638, 2.855 BMSC 
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Structure AsANT-Si AsANT-Se AsANT-Te M/μB X 0.502 0.368 0.310 As1 0.108 0.177 0.128 As2 0.104 –0.006 0.003 As3 0.108 0.174 0.126 Total 1.000 0.994 0.777 EM/meV 51.48 56.40 1.93 Eex/meV 20.92 56.40 1.89 磁相 BMSC BMSC BMSC DownLoad:
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[1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] [39] [40] [41] [42] [43] [44] [45] [46] [47] [48] [49] [50]
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