Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]

Detalhes bibliográficos
Autor(a) principal: Daoud,Salah
Data de Publicação: 2016
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Materials research (São Carlos. Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392016000200314
Resumo: Recently, Rahmati et al., 1 have published a paper in Materials Research 2014; 17(2): 303-310. They have investigated the structural, elastic, electronic and optical properties of Cu3N in its phase cubic anti-ReO3 structure. But it is to be noted, that the numerical values of the density, the longitudinal (vl), transverse (vt) and average (vm) elastic wave velocities, and the Debye temperature obtained by Rahmati et al., 1 seem to be inaccurate. These errors are certainly due to the inaccuracy application of the formula used to calculate the density. In the present comment, we recalculated, and we gave the right numerical values of the density, the longitudinal (vl), transverse (vt) and average sound velocity (vm) and of the Debye temperature of Cu3N material, based on the lattice parameter and the elastic constants obtained in their work.
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spelling Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]Copper nitride (Cu3N) materialSound velocityDebye temperatureRecently, Rahmati et al., 1 have published a paper in Materials Research 2014; 17(2): 303-310. They have investigated the structural, elastic, electronic and optical properties of Cu3N in its phase cubic anti-ReO3 structure. But it is to be noted, that the numerical values of the density, the longitudinal (vl), transverse (vt) and average (vm) elastic wave velocities, and the Debye temperature obtained by Rahmati et al., 1 seem to be inaccurate. These errors are certainly due to the inaccuracy application of the formula used to calculate the density. In the present comment, we recalculated, and we gave the right numerical values of the density, the longitudinal (vl), transverse (vt) and average sound velocity (vm) and of the Debye temperature of Cu3N material, based on the lattice parameter and the elastic constants obtained in their work.ABM, ABC, ABPol2016-04-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392016000200314Materials Research v.19 n.2 2016reponame:Materials research (São Carlos. Online)instname:Universidade Federal de São Carlos (UFSCAR)instacron:ABM ABC ABPOL10.1590/1980-5373-MR-2015-0602info:eu-repo/semantics/openAccessDaoud,Salaheng2016-04-01T00:00:00Zoai:scielo:S1516-14392016000200314Revistahttp://www.scielo.br/mrPUBhttps://old.scielo.br/oai/scielo-oai.phpdedz@power.ufscar.br1980-53731516-1439opendoar:2016-04-01T00:00Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)false
dc.title.none.fl_str_mv Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
title Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
spellingShingle Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
Daoud,Salah
Copper nitride (Cu3N) material
Sound velocity
Debye temperature
title_short Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
title_full Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
title_fullStr Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
title_full_unstemmed Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
title_sort Comment on "Ab Initio Study of the Structural, Elastic, Electronic and Optical Properties of Cu3N" [Materials Research. 2014;17(2):303-310]
author Daoud,Salah
author_facet Daoud,Salah
author_role author
dc.contributor.author.fl_str_mv Daoud,Salah
dc.subject.por.fl_str_mv Copper nitride (Cu3N) material
Sound velocity
Debye temperature
topic Copper nitride (Cu3N) material
Sound velocity
Debye temperature
description Recently, Rahmati et al., 1 have published a paper in Materials Research 2014; 17(2): 303-310. They have investigated the structural, elastic, electronic and optical properties of Cu3N in its phase cubic anti-ReO3 structure. But it is to be noted, that the numerical values of the density, the longitudinal (vl), transverse (vt) and average (vm) elastic wave velocities, and the Debye temperature obtained by Rahmati et al., 1 seem to be inaccurate. These errors are certainly due to the inaccuracy application of the formula used to calculate the density. In the present comment, we recalculated, and we gave the right numerical values of the density, the longitudinal (vl), transverse (vt) and average sound velocity (vm) and of the Debye temperature of Cu3N material, based on the lattice parameter and the elastic constants obtained in their work.
publishDate 2016
dc.date.none.fl_str_mv 2016-04-01
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=S1516-14392016000200314
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392016000200314
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/1980-5373-MR-2015-0602
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 ABM, ABC, ABPol
publisher.none.fl_str_mv ABM, ABC, ABPol
dc.source.none.fl_str_mv Materials Research v.19 n.2 2016
reponame:Materials research (São Carlos. Online)
instname:Universidade Federal de São Carlos (UFSCAR)
instacron:ABM ABC ABPOL
instname_str Universidade Federal de São Carlos (UFSCAR)
instacron_str ABM ABC ABPOL
institution ABM ABC ABPOL
reponame_str Materials research (São Carlos. Online)
collection Materials research (São Carlos. Online)
repository.name.fl_str_mv Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)
repository.mail.fl_str_mv dedz@power.ufscar.br
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