Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice

Detalhes bibliográficos
Autor(a) principal: Rodrigues,C. G.
Data de Publicação: 1999
Outros Autores: Pascual,M. F., Zubov,V. I.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Brazilian Journal of Physics
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000300009
Resumo: The correlative method of unsymmetrized self-consistent field (CUSF) is used to study dynamical characteristics of a strongly anharmonic crystal with body-centered cubic lattice, namely, the inter-atomic and mean square relative displacements. We present the general formulae for crystals with anharmonicity, including the strong one, up to fourth anharmonic terms. Taking into account the second order of the method we calculate correlations in this lattice between the nearest, second, third, fourth and fifth neighbors. The influence of more distant interactions is discussed. The results are compared with those obtained previously for an weakly anharmonic BCC crystal. We use the Schiff potencial for Na and also Lennard-Jones potentials for comparison.
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spelling Influence of strong anharmonicity on the dynamical properties of a crystal with BCC latticeThe correlative method of unsymmetrized self-consistent field (CUSF) is used to study dynamical characteristics of a strongly anharmonic crystal with body-centered cubic lattice, namely, the inter-atomic and mean square relative displacements. We present the general formulae for crystals with anharmonicity, including the strong one, up to fourth anharmonic terms. Taking into account the second order of the method we calculate correlations in this lattice between the nearest, second, third, fourth and fifth neighbors. The influence of more distant interactions is discussed. The results are compared with those obtained previously for an weakly anharmonic BCC crystal. We use the Schiff potencial for Na and also Lennard-Jones potentials for comparison.Sociedade Brasileira de Física1999-09-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000300009Brazilian Journal of Physics v.29 n.3 1999reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97331999000300009info:eu-repo/semantics/openAccessRodrigues,C. G.Pascual,M. F.Zubov,V. I.eng2000-08-07T00:00:00Zoai:scielo:S0103-97331999000300009Revistahttp://www.sbfisica.org.br/v1/home/index.php/pt/ONGhttps://old.scielo.br/oai/scielo-oai.phpsbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br1678-44480103-9733opendoar:2000-08-07T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
title Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
spellingShingle Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
Rodrigues,C. G.
title_short Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
title_full Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
title_fullStr Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
title_full_unstemmed Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
title_sort Influence of strong anharmonicity on the dynamical properties of a crystal with BCC lattice
author Rodrigues,C. G.
author_facet Rodrigues,C. G.
Pascual,M. F.
Zubov,V. I.
author_role author
author2 Pascual,M. F.
Zubov,V. I.
author2_role author
author
dc.contributor.author.fl_str_mv Rodrigues,C. G.
Pascual,M. F.
Zubov,V. I.
description The correlative method of unsymmetrized self-consistent field (CUSF) is used to study dynamical characteristics of a strongly anharmonic crystal with body-centered cubic lattice, namely, the inter-atomic and mean square relative displacements. We present the general formulae for crystals with anharmonicity, including the strong one, up to fourth anharmonic terms. Taking into account the second order of the method we calculate correlations in this lattice between the nearest, second, third, fourth and fifth neighbors. The influence of more distant interactions is discussed. The results are compared with those obtained previously for an weakly anharmonic BCC crystal. We use the Schiff potencial for Na and also Lennard-Jones potentials for comparison.
publishDate 1999
dc.date.none.fl_str_mv 1999-09-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000300009
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000300009
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97331999000300009
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.none.fl_str_mv Brazilian Journal of Physics v.29 n.3 1999
reponame:Brazilian Journal of Physics
instname:Sociedade Brasileira de Física (SBF)
instacron:SBF
instname_str Sociedade Brasileira de Física (SBF)
instacron_str SBF
institution SBF
reponame_str Brazilian Journal of Physics
collection Brazilian Journal of Physics
repository.name.fl_str_mv Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)
repository.mail.fl_str_mv sbfisica@sbfisica.org.br||sbfisica@sbfisica.org.br
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