On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal

Detalhes bibliográficos
Autor(a) principal: Rodrigues,C. G.
Data de Publicação: 1997
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=S0103-97331997000400004
Resumo: Using the correlative method of unsymmetrized self-consistent field we study equilibrium atomic properties of anharmonic crystals. Here we calculate dynamical characteristics of a weakly anharmonic crystal with the body-centered cubic lattice, namely, the quadratic correlation moments between atomic displacements and the mean square relative atomic displacements. Taking into account the nearest neighbour interactions in this lattice, the second order of the method enables one to calculate the correlations between the nearest, second, third and fifth neighbours. An influence of more distant interactions is discussed. Results are also correlated with those calculated early for the simple and face-centered cubic lattices.
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spelling On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC CrystalUsing the correlative method of unsymmetrized self-consistent field we study equilibrium atomic properties of anharmonic crystals. Here we calculate dynamical characteristics of a weakly anharmonic crystal with the body-centered cubic lattice, namely, the quadratic correlation moments between atomic displacements and the mean square relative atomic displacements. Taking into account the nearest neighbour interactions in this lattice, the second order of the method enables one to calculate the correlations between the nearest, second, third and fifth neighbours. An influence of more distant interactions is discussed. Results are also correlated with those calculated early for the simple and face-centered cubic lattices.Sociedade Brasileira de Física1997-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331997000400004Brazilian Journal of Physics v.27 n.4 1997reponame:Brazilian Journal of Physicsinstname:Sociedade Brasileira de Física (SBF)instacron:SBF10.1590/S0103-97331997000400004info:eu-repo/semantics/openAccessRodrigues,C. G.Pascual,M. F.Zubov,V. I.eng1999-06-14T00:00:00Zoai:scielo:S0103-97331997000400004Revistahttp://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:1999-06-14T00:00Brazilian Journal of Physics - Sociedade Brasileira de Física (SBF)false
dc.title.none.fl_str_mv On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
title On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
spellingShingle On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
Rodrigues,C. G.
title_short On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
title_full On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
title_fullStr On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
title_full_unstemmed On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
title_sort On the Interatomic Correlations and Mean Square Relative Atomic Displacements in an Anharmonic BCC Crystal
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 Using the correlative method of unsymmetrized self-consistent field we study equilibrium atomic properties of anharmonic crystals. Here we calculate dynamical characteristics of a weakly anharmonic crystal with the body-centered cubic lattice, namely, the quadratic correlation moments between atomic displacements and the mean square relative atomic displacements. Taking into account the nearest neighbour interactions in this lattice, the second order of the method enables one to calculate the correlations between the nearest, second, third and fifth neighbours. An influence of more distant interactions is discussed. Results are also correlated with those calculated early for the simple and face-centered cubic lattices.
publishDate 1997
dc.date.none.fl_str_mv 1997-12-01
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=S0103-97331997000400004
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331997000400004
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-97331997000400004
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.27 n.4 1997
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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