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Calculated total magnetic moments caused by terminated N atoms at the edge of optimized vacancy structures depend on the missing position.
That is, the N atoms near the missing position have the dangling bond due to the missing and form the N dimer (see Fig. 2d g).
These values are calculated using previous and next field information because the original pixel information at the missing position is obtained from the previous and next fields due to the inherent nature of the interlaced format.
To study stability of vacancy structures depending on the missing position, we increase the supercell size of h-BN sheet up to 15 × 15 unit cell and obtain the larger vacancy size such as V15B+10N and V21B+15N.
It is found that the stability of the optimized structures with a BN missing pair depends on the BN-pair missing position: the most stable structure is a BN-pair missing structure at the edge face region with the smallest magnetic moment.
After one BN-pair missing at the edge of triangular vacancy structure, the optimized structure shows reconstructed BN hexagonal open ring near the missing position in which the B-N bond lengths at the distorted BN ring are slightly shorter; this means that the interactions between B and N atoms become stronger and change the arrangement of the electron charge distribution in the B-N bonds.
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Missing position-error-signal sampling data in hard disk drives (HDDs) results in their servo systems having irregular sampling rates.
The optimized structures are divided into three types depending on the missing positions; corner missing (1 and 6), near corner missing (2 and 5), and middle missing (3 and 4) positions.
Fig. 2 Optimized structures of a V21B+15N vacancy structure with possible missing positions of BN-pair and b g V22B+16N vacancy structures after a BN-pair missing at specific positions.
After relaxation of the vacancy structure with BN-pair missing at different positions, we find the difference in the optimized structures depending on the missing positions as shown in the Fig. 2b g.
We select a large N-terminated V21B+15N triangular vacancy structure embedded in the supercell to consider more missing positions (Fig. 2a).
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