6533b7d3fe1ef96bd126164e
RESEARCH PRODUCT
Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite
Akun LiangDaniel ErrandoneaJesús GonzálezTarik OuahraniMichael BadawiÁLvaro Lobato FernándezN. BenkhettouRuth FrancoFatima-zohra MedjdoubSaber Gueddidasubject
Materials science02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyCompression (physics)01 natural sciences0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsGeneral EnergyPhase (matter)Physical and Theoretical ChemistryComposite material0210 nano-technologyPerovskite (structure)description
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”.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-12-30 | The Journal of Physical Chemistry C |