Listar División de Nanociencias y Materiales por autor "3a9c9b19-eb27-4be3-96c0-c4efc0be330f"
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Exploring the crystal structure and properties of ytterbium orthoantimonate under high pressure
Garg, Alka B; López Moreno, Sinhué; Botella Vives, Pablo; Gomis, Oscar; Bandiello, Enrico; Osman, Hussien; Popescu, Catalin; Errandonea, Daniel (Royal Society of Chemistry, 2023)The crystal structure of YbSbO4 was determined from powder X-ray diffraction data using the Rietveld method. YbSbO4 is found to be monoclinic and isostructural to ?-PrSbO4. We have also tested the influence of pressure on ... -
Stability of FeVO4-II under Pressure: A First-Principles Study
Romero Vázquez, Pricila Betbirai; López Moreno, Sinhué; Errandonea, Daniel (MDPI, 2022)"In this work, we report first-principles calculations to study FeVO4 in the CrVO4-type (phase II) structure under pressure. Total-energy calculations were performed in order to analyze the structural parameters, the ...