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

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...

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Published inPhysica. B, Condensed matter Vol. 601; p. 412443
Main Authors El-Achari, T., Goumrhar, F., Drissi, L.B., Laamara, R. Ahl
Format Journal Article
LanguageEnglish
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
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Abstract 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 impurities in the non-magnetic semi-conductor intrinsic CeO2. The total moments of the doped system vary from 0.234 to 0.744 μB for 8% and 25% of Mn. The interaction responsible for magnetism is also determined. Finally, the variation of the Curie temperature, which has reached about 840 (K) for 25% of Mn impurity in instead of 340 (K) for 8% is also determined. •The Ab-initio calculations are performed to study the electronic and magnetic properties of Mn doped CeO2.•The stability of the CeO2 compound has been study as function of the Mn impurity.•A stable half-metallic ferromagnetic phase is revealed after introducing Mn in the pure semiconductor CeO2.•The interaction responsible for magnetism is also determined.
AbstractList 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 impurities in the non-magnetic semi-conductor intrinsic CeO2. The total moments of the doped system vary from 0.234 to 0.744 μB for 8% and 25% of Mn. The interaction responsible for magnetism is also determined. Finally, the variation of the Curie temperature, which has reached about 840 (K) for 25% of Mn impurity in instead of 340 (K) for 8% is also determined.
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 impurities in the non-magnetic semi-conductor intrinsic CeO2. The total moments of the doped system vary from 0.234 to 0.744 μB for 8% and 25% of Mn. The interaction responsible for magnetism is also determined. Finally, the variation of the Curie temperature, which has reached about 840 (K) for 25% of Mn impurity in instead of 340 (K) for 8% is also determined. •The Ab-initio calculations are performed to study the electronic and magnetic properties of Mn doped CeO2.•The stability of the CeO2 compound has been study as function of the Mn impurity.•A stable half-metallic ferromagnetic phase is revealed after introducing Mn in the pure semiconductor CeO2.•The interaction responsible for magnetism is also determined.
ArticleNumber 412443
Author Goumrhar, F.
El-Achari, T.
Laamara, R. Ahl
Drissi, L.B.
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Keywords CeO2
Half-metalicity
ab-initio approach
CPA-KKR-GGA/SIC
DMO
Curie temperature
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Snippet 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...
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SubjectTerms 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
Title Structural, electronic and magnetic properties of Mn doped CeO2: An ab-initio study
URI https://dx.doi.org/10.1016/j.physb.2020.412443
https://www.proquest.com/docview/2510603467/abstract/
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