Interatomic Forces, Phonons, the Foreman-Lomer Theorem and the Blackman Sum Rule
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Foreman and Lomer proposed in 1957 a method of estimating the harmonic forces between parallel planes of atoms of primitive 0cubic crystals by Fourier transforming the squared frequencies of phonons propagating along principal directions. A generalized form of this theorem is derived in this paper and it is shown that it is more appropriate to apply the method to certain combinations of the phonon dispersion relations rather than to individual dispersion relations themselves. Further, it is...[Show more]
dc.contributor.author | Stewart, Andrew | |
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dc.date.accessioned | 2015-12-10T23:34:36Z | |
dc.identifier.issn | 0217-9792 | |
dc.identifier.uri | http://hdl.handle.net/1885/69498 | |
dc.description.abstract | Foreman and Lomer proposed in 1957 a method of estimating the harmonic forces between parallel planes of atoms of primitive 0cubic crystals by Fourier transforming the squared frequencies of phonons propagating along principal directions. A generalized form of this theorem is derived in this paper and it is shown that it is more appropriate to apply the method to certain combinations of the phonon dispersion relations rather than to individual dispersion relations themselves. Further, it is also shown how the method may be extended to the hexagonal close packed and diamond lattices. Explicit, exact and general relations in terms of atomic force constants are found for deviations from the Blackman sum rule which itself is shown to be derived from the generalized Foreman-Lomer theorem. | |
dc.publisher | World Scientific Publishing Company | |
dc.source | International Journal of Modern Physics B | |
dc.subject | Keywords: article; crystal structure; Fourier transformation; molecular dynamics; molecular model; oscillation; temperature dependence; thermodynamics; vibration | |
dc.title | Interatomic Forces, Phonons, the Foreman-Lomer Theorem and the Blackman Sum Rule | |
dc.type | Journal article | |
local.description.notes | Imported from ARIES | |
local.description.refereed | Yes | |
local.identifier.citationvolume | 15 | |
dc.date.issued | 2001 | |
local.identifier.absfor | 020204 - Plasma Physics; Fusion Plasmas; Electrical Discharges | |
local.identifier.ariespublication | MigratedxPub2040 | |
local.type.status | Published Version | |
local.contributor.affiliation | Stewart, Andrew, College of Physical and Mathematical Sciences, ANU | |
local.description.embargo | 2037-12-31 | |
local.bibliographicCitation.issue | 26 | |
local.bibliographicCitation.startpage | 3439 | |
local.bibliographicCitation.lastpage | 3452 | |
local.identifier.doi | 10.1142/S0217979201007269 | |
dc.date.updated | 2015-12-10T11:34:42Z | |
local.identifier.scopusID | 2-s2.0-0035923206 | |
Collections | ANU Research Publications |
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