6533b861fe1ef96bd12c444e

RESEARCH PRODUCT

Transition path to a dense efficient-packed post-delafossite phase. Crystal structure and evolution of the chemical bonding

Juan Angel SansCatalin PopescuD. Martínez-garcíaOscar GomisDavid Santamaría-pérezK.a. VanajaB. García-domeneAlberto Otero-de-la-rozaJulio Pellicer-porresRaquel Chuliá-jordánA.s. Asha

subject

Phase transitionMaterials scienceMechanical EngineeringMetals and Alloys02 engineering and technologyCrystal structureengineering.material010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesBond order0104 chemical sciencesCrystalDelafossiteCrystallographyChemical bondMechanics of MaterialsAb initio quantum chemistry methodsPhase (matter)Materials Chemistryengineering0210 nano-technology

description

We are thankful for the financial support received from the Spanish Ministerio de Ciencia e Innovación and the Agencia Estatal de Investigación under national projects PGC2018-094417-B-I00 (co-financed by EU FEDER funds), MAT2016-75586-C4-1-P/2-P, FIS2017-83295-P, PID2019-106383GB-C41/C42 and RED2018- 102612-T (MALTA Consolider), and from Generalitat Valenciana under project PROMETEO/2018/123. D.S-P, A.O.R, and J.A.S acknowledge financial support of the Spanish MINECO for the RyC-2014-15643, RyC-2016-20301, and RyC-2015-17482 Ramón y Cajal Grants, respectively.

yearjournalcountryeditionlanguage
2021-06-01Journal of Alloys and Compounds
https://doi.org/10.1016/j.jallcom.2021.159012