Comment on “Fe magnon dispersion curve calculated with the frozen spin-wave method”

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 1, 2003, Pages

  Nicholson, D M C ^a   Brown, R H ^b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b LUTHER COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IRON;

ACCELERATION; CALCULATION; DENSITY; DISPERSION; ELECTRIC POTENTIAL; ENERGY; REVIEW; TECHNIQUE;

EID: 0037282150     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.016401     Document Type: Article

References (21)

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10. The nuclei provide the external potential in which the electrons move, however, we usually wish to include the interaction energy between the electrons and nuclei and the energy required to bring the nuclei into position. The cleanest way to achieve this is to treat the energy as a two-component density functional with no external potential, (formula presented)
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17. W A. Shelton, D M. Nicholson, G M. Stocks, F J. Pinski, P. Sterne, and W M. Temmerman, in Alloy Phase Stability and Design, edited by G.M. Stocks, D.P. Pope, and A.F. Giamei, MRS Symposia Proceedings No. 186(Materials Research Society, Pittsburgh, 1990).
18. Because the reader is likely to scrutinize BNK in response to this paper, we would like to point out that BNK use the Harris energy functional in Eq. (A2) rather than the LDA functional.
19. In the FPA the Fermi energy is chosen to give the correct number of electron levels for (formula presented) which may differ from the Fermi level for (formula presented)
20. Equations (A2) and (5) are both referred to as the total energy, but in fact Eq. (5) is the internal energy and Eq. (A2) is the total energy. The internal energy is the correct one to use in this context.
21. (formula presented)-space results are to be published by G. M. Stocks et al. Similar real-space results based on a limited range in real space can be found in: G M. Stocks, B. Ujfalussy, Xingdong Wang, D M C. Nicholson, W A. Shelton, Yang Wang, A. Canning, and B L. Györffy, Philos. Mag. B78, 665 (1998).