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Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite
| dc.contributor.author | Ouahrani, Tarik | |
| dc.contributor.author | Medjdoub, Fatima-Zohra | |
| dc.contributor.author | Gueddida, Saber | |
| dc.contributor.author | Lobato Fernández, Álvaro | |
| dc.contributor.author | Álvarez-Uría Franco, Ruth | |
| dc.contributor.author | Benkhettou, Nour-Eddine | |
| dc.contributor.author | Badawi, Michael | |
| dc.contributor.author | Liang, Akun | |
| dc.contributor.author | González, Jesús | |
| dc.contributor.author | Errandonea, Daniel | |
| dc.date.accessioned | 2021-02-10T07:48:27Z | |
| dc.date.available | 2021-02-10T07:48:27Z | |
| dc.date.issued | 2020 | |
| dc.identifier.citation | The Journal of Physical Chemistry C, 125(1), p. 107–119 (2020); doi:10.1021/acs.jpcc.0c08641 | |
| dc.identifier.issn | 1932-7447 | |
| dc.identifier.uri | http://hdl.handle.net/10651/57843 | |
| dc.description.sponsorship | D.E. acknowledges the financial support given by the Spanish Ministry of Science, Innovation, and Universities (MCIU) under grant nos. PID2019-106383GB-C41 and RED2018-102612-T (MALTA Consolider-Team network) and by Generalitat Valenciana under Grant Prometeo/2018/123 (EFIMAT). R.F. and A. Lobato are grateful to financial support from Spanish MCIU under grant PGC2018-094814-B-C22. We would like to thank TGCC under the allocation 2020-A0080910433 made by GENCI, the PMMS (Pôle Messin de Modélisation et de Simulation), the Tirant supercomputer (Universitat de Valencia), and the MALTA-Consolider facilities for providing us the computational resources. S.G. and M.B. also acknowledge financial support through the COMETE project (Conception in silico de Matériaux pour l’Environnement et l’Energie) co-funded by the European Union under the program “FEDERFSE Lorraine et Massif des Vosges 2014–2020”. | spa |
| dc.format.extent | p. 107–119 | spa |
| dc.language.iso | eng | spa |
| dc.relation.ispartof | The Journal of Physical Chemistry C, 125(1) | spa |
| dc.rights | © 2020 American Chemical Society | |
| dc.rights | CC Reconocimiento - No Comercial - Sin Obra Derivada 4.0 Internacional | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.title | Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite | spa |
| dc.type | journal article | spa |
| dc.identifier.doi | 10.1021/acs.jpcc.0c08641 | |
| dc.relation.projectID | MCIU/PID2019-106383GB-C41 | spa |
| dc.relation.projectID | MCIU/RED2018-102612-T | spa |
| dc.relation.projectID | MCIU/PGC2018-094814-B-C22 | spa |
| dc.relation.publisherversion | https://doi.org/10.1021/acs.jpcc.0c08641 | spa |
| dc.rights.accessRights | open access | |
| dc.type.hasVersion | AM |
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