Phase transition and elasticity of gallium arsenide under pressure
Autor(a) principal: | |
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Data de Publicação: | 2014 |
Outros Autores: | |
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=S1516-14392014000500020 |
Resumo: | Geometry optimization calculations were performed for some structural, elastic and mechanical properties of gallium arsenide (GaAs) under pressures up to 25 GPa. In contrast to previous works, a recent Stillinger-Weber type potential was used for the first time to elaborate the pressure dependence aspects of GaAs. B3→B1 phase transition pressure was determined as 17 GPa. Pressure dependence of density, typical cubic elastic constants, bulk, shear, and Young moduli, Poisson ratio, elastic velocities, anisotropy parameter, Kleinman parameter, elastic anisotropy degree, and stability conditions of GaAs were also evaluated. Overall, our results are satisfactory and can be helpful for future investigations of GaAs under pressure. |
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Phase transition and elasticity of gallium arsenide under pressureGaAselasticityelastic constantspressurephase transitionGeometry optimization calculations were performed for some structural, elastic and mechanical properties of gallium arsenide (GaAs) under pressures up to 25 GPa. In contrast to previous works, a recent Stillinger-Weber type potential was used for the first time to elaborate the pressure dependence aspects of GaAs. B3→B1 phase transition pressure was determined as 17 GPa. Pressure dependence of density, typical cubic elastic constants, bulk, shear, and Young moduli, Poisson ratio, elastic velocities, anisotropy parameter, Kleinman parameter, elastic anisotropy degree, and stability conditions of GaAs were also evaluated. Overall, our results are satisfactory and can be helpful for future investigations of GaAs under pressure.ABM, ABC, ABPol2014-10-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000500020Materials Research v.17 n.5 2014reponame:Materials research (São Carlos. Online)instname:Universidade Federal de São Carlos (UFSCAR)instacron:ABM ABC ABPOL10.1590/1516-1439.272414info:eu-repo/semantics/openAccessGüler,EmreGüler,Melekeng2014-12-15T00:00:00Zoai:scielo:S1516-14392014000500020Revistahttp://www.scielo.br/mrPUBhttps://old.scielo.br/oai/scielo-oai.phpdedz@power.ufscar.br1980-53731516-1439opendoar:2014-12-15T00:00Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)false |
dc.title.none.fl_str_mv |
Phase transition and elasticity of gallium arsenide under pressure |
title |
Phase transition and elasticity of gallium arsenide under pressure |
spellingShingle |
Phase transition and elasticity of gallium arsenide under pressure Güler,Emre GaAs elasticity elastic constants pressure phase transition |
title_short |
Phase transition and elasticity of gallium arsenide under pressure |
title_full |
Phase transition and elasticity of gallium arsenide under pressure |
title_fullStr |
Phase transition and elasticity of gallium arsenide under pressure |
title_full_unstemmed |
Phase transition and elasticity of gallium arsenide under pressure |
title_sort |
Phase transition and elasticity of gallium arsenide under pressure |
author |
Güler,Emre |
author_facet |
Güler,Emre Güler,Melek |
author_role |
author |
author2 |
Güler,Melek |
author2_role |
author |
dc.contributor.author.fl_str_mv |
Güler,Emre Güler,Melek |
dc.subject.por.fl_str_mv |
GaAs elasticity elastic constants pressure phase transition |
topic |
GaAs elasticity elastic constants pressure phase transition |
description |
Geometry optimization calculations were performed for some structural, elastic and mechanical properties of gallium arsenide (GaAs) under pressures up to 25 GPa. In contrast to previous works, a recent Stillinger-Weber type potential was used for the first time to elaborate the pressure dependence aspects of GaAs. B3→B1 phase transition pressure was determined as 17 GPa. Pressure dependence of density, typical cubic elastic constants, bulk, shear, and Young moduli, Poisson ratio, elastic velocities, anisotropy parameter, Kleinman parameter, elastic anisotropy degree, and stability conditions of GaAs were also evaluated. Overall, our results are satisfactory and can be helpful for future investigations of GaAs under pressure. |
publishDate |
2014 |
dc.date.none.fl_str_mv |
2014-10-01 |
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=S1516-14392014000500020 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000500020 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/1516-1439.272414 |
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.17 n.5 2014 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 |
_version_ |
1754212665076482048 |