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and FM states tend to be nearly degenerate with the increase of the ribbon width. [26, 49] Table 1 Energy difference between AFM and FM/NM states of ByNRs (meV) Ny EAFM – EFM EAFM – ENM 4 5 6 7 8 9 10 11 12 -117.6 -170.7 -173.2 -224.3 -220.8 -368.7 -326.0 -461.4 -418.6 -236.3 35.2 -392.8 -541.0 -503.8 -572.9 -549.0 -511.7 -698.6 To quantitatively verify the stability of BNRs, average binding energy (ABE) was calculated. ABE of the BNRs is defined as: ABE = (n×EB – ETotal) / n (1) where ETotal is the total energy of the system, EB the energy of a single boron atom, and n the total number of boron atom. The calculated ABE are presented in Fig. 3. As shown, the values of ABE are positive for both BxNRs and ByNRs, indicating these nanoribbon varieties are energetically stable. With the increase of ribbon width, the ABE is getting closer to the value of the two dimensional borophene (5.9 eV). With Ny going from 4 to 12, the ABE of ByNRs increases from 5.45 eV to 5.75 eV, closer to the borophene value (5.9 eV); while the ABE of BxNRs remains nearly 5.9 eV.PDF Image | Magnetic Properties of Borophene Nanoribbons
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