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

El-Achari, T.; Goumrhar, F.; Drissi, L.B.; Laamara, R. Ahl

doi:10.1016/j.physb.2020.412443

Cited by 23 publications

(3 citation statements)

References 44 publications

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“…However, it can be used as a light absorber, where AlN must absorb a photon with an energy higher than E g to let the electrons existing at the Γ quasi-moment at the valence band jump toward the valley existing at the Γ -point in the conduction band. Furthermore, as reported in [16], the wavelength (λ) of the photon is equivalent to E g , and thus λ( AlN) is found to be equal to 411 nm. This value belongs to the visible range, indicating that AlN can be a good light absorber for the visible and the infrared spectrum.…”

Section: Resultssupporting

confidence: 66%

“…Many Heusler alloys [5,6], zinc-blende pnictides and chalcogenides [7,8], manganites [9], perovskites [10,11], diluted magnetic semiconductors (DMS) [12][13][14] and diluted magnetic oxides (DMO) [15,16], show half-metal characteristics with peculiar intrinsic properties. In DMS and DMO, the central vision is to conceive magnetic compounds by arbitrarily injecting a fraction of non-magnetic host semiconductors or oxides by magnetic impurities, namely transition metal or rare earth elements [17,18].…”

Section: Introductionmentioning

confidence: 99%

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Electronic and magnetic properties of V- and Cr-doped zinc-blende AlN

El-Achari¹,

Goumrhar²,

Drissi³

et al. 2021

Commun. Theor. Phys.

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The electronic and magnetic properties of the zinc-blende aluminum nitride doped with V and Cr are studied using the density functional theory (DFT), namely the KKR-CPA-PBE method. Pure AlN is found to be a wide band gap semiconductor, and doping V and Cr single impurities generate ferromagnetic half-metallic behavior. Moreover, the values of the formation energy reveal that these compounds are stable systems for all dopant concentrations. A self-consistent energy minimization scheme determines the ferromagnetic state as the stable magnetic state for V- and Cr-doping AlN. A double exchange mechanism is identified as the mechanism responsible for magnetism in our systems. When increasing doping impurities, the total magnetic moments increase linearly and the Curie temperature T C , calculated using the mean-field approximation, shows a significant change. The present findings reveal Cr- and V-doped zinc-blende AlN as potential candidates for high Curie temperature ferromagnetic materials.

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Section: Resultssupporting

confidence: 66%

Section: Introductionmentioning

confidence: 99%

Electronic and magnetic properties of V- and Cr-doped zinc-blende AlN

El-Achari¹,

Goumrhar²,

Drissi³

et al. 2021

Commun. Theor. Phys.

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“…Mn can exhibit multivalent oxidation states when MnO y –CeO x solid solutions are formed. In addition to Mn 2+ , both Mn 3+ and Mn 4+ ions can enter the CeO x structure according to several reports. − …”

Section: Introductionmentioning

confidence: 88%

Manganese Defective Clustering: Influence on the Spectroscopic Features of Ceria-Based Nanomaterials

et al. 2023

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The influence of manganese modification on the spectroscopic features of manganese-doped CeO 2 systems synthesized by the microwave-assisted hydrothermal route and their correlation with the presence of O defective structures were verified, focusing on their interaction with poisonous atmospheres. Raman and electron paramagnetic resonance studies confirmed the presence of defective clusters formed by dipoles and/or quadrupoles. The number of paramagnetic species was found to be inversely proportional to the doping concentration, resulting in an increase in the Mn 2+ signal, likely due to the reduction of Mn 3+ species after the interaction with CO. X-ray photoelectron spectroscopy data showed the pure system with 33% of its cerium species in the Ce 3+ configuration, with an abrupt decrease to 19%, after the first modification with Mn, suggesting that 14% of the Ce 3+ species are donating one electron to the Mn 2+ ions, thus becoming nonparamagnetic Ce 4+ species. On the contrary, 58% of the manganese species remain in the Mn 2+ configuration with five unpaired electrons, corroborating the paramagnetic feature of the samples seen in the electron paramagnetic resonance study.

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