Publication:
Structural, mechanical and thermodynamic properties under pressure effect of rubidium telluride: first principle calculations

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dc.contributor.author K. Bidai
dc.contributor.author M. Ameri
dc.contributor.author I. Ameri
dc.contributor.author D. Bensaid
dc.contributor.author A. Slamani
dc.contributor.author A. Zaoui
dc.contributor.author Y. Al-Douri
dc.date.accessioned 2024-05-10T02:08:29Z
dc.date.available 2024-05-10T02:08:29Z
dc.date.issued 2017
dc.description.abstract First-principles density functional theory calculations have been performed to investigate the structural, elastic and thermodynamic properties of rubidium telluride in cubic anti-fluorite (anti-CaF2-type) structure. The calculated ground-state properties of Rb2Te compound such as equilibrium lattice parameter and bulk moduli are investigated by generalized gradient approximation (GGA-PBE) that are based on the optimization of total energy. The elastic constants, Young’s and shear modulus, Poisson ratio, have also been calculated. Our results are in reasonable agreement with the available theoretical and experimental data. The pressure dependence of elastic constant and thermodynamic quantities under high pressure are also calculated and discussed.
dc.identifier.doi 10.1515/amm-2017-0127
dc.identifier.uri https://journals.pan.pl/dlibra/publication/120656/edition/105068/archives-of-metallurgy-and-materials-2017-vol-62-no-2-structural-mechanical-and-thermodynamic-properties-under-pressure-effect-of-rubidium-telluride-first-principle-calculations-bidai-k-ameri-m-ameri-i-bensaid-d-slamani-a-zaoui-a-al-douri-y
dc.identifier.uri https://journals.pan.pl/amm
dc.identifier.uri https://hdl.handle.net/20.500.14170/2567
dc.language.iso en
dc.relation.ispartof Archives of Metallurgy and Materials
dc.relation.issn 2300-1909
dc.title Structural, mechanical and thermodynamic properties under pressure effect of rubidium telluride: first principle calculations
dc.type journal-article
dspace.entity.type Publication
oaire.citation.endPage 7
oaire.citation.issue 2
oaire.citation.startPage 1
oaire.citation.volume 62
oairecerif.author.affiliation Djilali Liabes University of Sidi Bel Abbes
oairecerif.author.affiliation Djilali Liabes University of Sidi Bel Abbes
oairecerif.author.affiliation Djilali Liabes University of Sidi Bel Abbes
oairecerif.author.affiliation Djilali Liabes University of Sidi Bel Abbes
oairecerif.author.affiliation Djilali Liabes University of Sidi Bel Abbes
oairecerif.author.affiliation Djilali Liabes University of Sidi Bel Abbes
oairecerif.author.affiliation Universiti Malaysia Perlis
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