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84988758983
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note
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In the FLAPW, plane waves with energy cutoffs of 225 Ry (for the charge and potential) and 15 Ry (for the variational bases) are employed. In CASTEP calculations, the valence wave functions were expanded in a basis set of plane waves with an energy cutoff of 28 Ry.
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17
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0000647107
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19
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84988789910
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unpublished
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Zongxian Yang and Ruqian Wu (unpublished).
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Yang, Z.1
Wu, R.2
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20
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84988759212
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note
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2 are smaller than 4 mRy/a.u. in FLAPW calculations with the structure optimized through the CASTEP approach.
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-
-
-
21
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84988759211
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-
note
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2, 1.97 Å.
-
-
-
-
22
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0000768321
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-
c needs long-ranged exchange parameters and, due to the quasi-two-dimensional structure, the magnetocrystalline anisotropy energies [cf. R.P. Erickson and D. L. Mills, Phys. Rev. B 43, 11 527 (1991)].
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Mills, D.L.2
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