Publication:
First-principles calculations of pressure and temperature dependence of thermodynamic properties of anti-perovskite BiNBa<inf>3</inf> compound
First-principles calculations of pressure and temperature dependence of thermodynamic properties of anti-perovskite BiNBa<inf>3</inf> compound
| cris.author.scopus-author-id | 57132999100 | |
| cris.author.scopus-author-id | 23476801400 | |
| cris.author.scopus-author-id | 55425747100 | |
| cris.author.scopus-author-id | 55947853700 | |
| cris.author.scopus-author-id | 6701757524 | |
| cris.author.scopus-author-id | 7005683164 | |
| cris.author.scopus-author-id | 55334719400 | |
| dc.contributor.author | Bidai K. | |
| dc.contributor.author | Ameri M. | |
| dc.contributor.author | Amel S. | |
| dc.contributor.author | Ameri I. | |
| dc.contributor.author | Al-Douri Y. | |
| dc.contributor.author | Varshney D. | |
| dc.contributor.author | Voon C.H. | |
| dc.date.accessioned | 2025-01-13T07:03:51Z | |
| dc.date.available | 2025-01-13T07:03:51Z | |
| dc.date.issued | 2017-10-01 | |
| dc.description.abstract | The structural, elastic and thermodynamic properties of the antiperovskite BiNBa3 compound are studied under the effects of pressure and temperature using the full-potential augmented plane wave plus the local orbitals method (FP-APW+lo). The exchange–correlation potential is treated using the generalized gradient approximation within the Perdew, Burke and Ernzerh scheme (GGA-PBE). The calculated lattice constants, the bulk moduli and their pressure derivatives are in reasonable agreement with the available data. The elastic constants Cij and interrelated quantities have also been calculated. The thermodynamic quantities under pressure and temperature are also calculated and elaborated upon. | |
| dc.identifier.doi | 10.1016/j.cjph.2017.03.023 | |
| dc.identifier.scopus | 2-s2.0-85030237313 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.14170/11585 | |
| dc.relation.grantno | undefined | |
| dc.relation.ispartof | Chinese Journal of Physics | |
| dc.relation.ispartofseries | Chinese Journal of Physics | |
| dc.relation.issn | 05779073 | |
| dc.subject | Antiperovskite | FP-LAPW | Structural | Thermodynamics | |
| dc.title | First-principles calculations of pressure and temperature dependence of thermodynamic properties of anti-perovskite BiNBa<inf>3</inf> compound | |
| dc.type | Journal | |
| dspace.entity.type | Publication | |
| oaire.citation.endPage | 2155 | |
| oaire.citation.issue | 5 | |
| oaire.citation.startPage | 2144 | |
| oaire.citation.volume | 55 | |
| oairecerif.affiliation.orgunit | Université Djillali Liabes de Sidi Bel Abbes | |
| oairecerif.affiliation.orgunit | Université Djillali Liabes de Sidi Bel Abbes | |
| oairecerif.affiliation.orgunit | Université Djillali Liabes de Sidi Bel Abbes | |
| oairecerif.affiliation.orgunit | Université Djillali Liabes de Sidi Bel Abbes | |
| oairecerif.affiliation.orgunit | Universiti Malaya | |
| oairecerif.affiliation.orgunit | Devi Ahilya Vishwavidyalaya, Indore | |
| oairecerif.affiliation.orgunit | Universiti Malaysia Perlis | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.orcid | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| person.identifier.scopus-author-id | 57132999100 | |
| person.identifier.scopus-author-id | 23476801400 | |
| person.identifier.scopus-author-id | 55425747100 | |
| person.identifier.scopus-author-id | 55947853700 | |
| person.identifier.scopus-author-id | 6701757524 | |
| person.identifier.scopus-author-id | 7005683164 | |
| person.identifier.scopus-author-id | 55334719400 |