Magnetic Properties of Borophene Nanoribbons

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Magnetic Properties of Borophene Nanoribbons ( magnetic-properties-borophene-nanoribbons )

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Figure 2. (a) Top view and (b) side view along x-axis of 8-BxNR, (c) top view and (d) side view along y-axis of 8-ByNR. In order to determine which edge spin configuration is the ground state for ByNRs, Table 1 summarizes the energy differences of ByNRs for AFM, FM and NM state. It is found that the ground state is an AFM state for ByNRs, except for Ny = 5. In the case of Ny = 5, the ground state is a NM state instead, which could be due to ribbon width variations since size effect plays an important role in the low-dimensional materials. At this point, it is instructive to note that di-hydrogenated ZGNRs adopt a NM ground state for n < 8, above which AFM predominates. [49] Also shown in Table 1, with the increase of Ny, the energy difference between AFM and FM increases, implying AFM tend to become more stable with the wider ribbon width, which is in contrast to the case of ZGNRs, in which the AFM

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