Structural, electronic and magnetic properties of Mn doped CeO2: An ab-initio study

• Published in: Physica. B, Condensed matter Vol. 601; p. 412443
• Main Authors: El-Achari, T., Goumrhar, F., Drissi, L.B., Laamara, R. Ahl
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 15.01.2021; Elsevier BV
• Subjects: ab-initio approach; CeO2; Cerium oxides; Chemical compounds; Conductors; CPA-KKR-GGA/SIC; Curie temperature; DMO; Electronic structure; Ferromagnetic phases; Ferromagnetism; Fluorite; Half-metalicity; Impurities; Magnetic fields; Magnetic properties; Magnetism; Manganese; Studies; CeO2; Half-metalicity; ab-initio approach; CPA-KKR-GGA/SIC; DMO; Curie temperature

Onwards the ab-initio approach, we investigate the electronic structure of the Mn doped CeO2 Ceria Fluorite-like. We have studied the stability of the Diluted Magnetic Oxides (DMO)-compounds as function of the impurity. A stable half-metallic ferromagnetic phase is revealed after introducing Mn impu...