Stabilization of ferromagnetism in (Cr, V) co-doped ZnO diluted magnetic semiconductors

Mamouni, N.; Kenz, A. El; Ez‐Zahraouy, H.; Loulidi, M.; Benyoussef, A.; Bououdina, M.

doi:10.1016/j.jmmm.2013.03.025

Cited by 14 publications

(5 citation statements)

References 51 publications

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“…It is noticed that BaTiO 3 , after V-M″ co-doping, exhibits ferromagnetism, except for V-Co co-doping. The ferromagnetism caused by transition metal doping is also found in other doped semiconductors, such as V-Cr co-doped ZnO [ 43 ], Mn doped GaN [ 44 ], and Mn doped AIN [ 45 ]. The majority spin (up-spin) DOS has a smaller bandgap than the minority spin (down-spin) DOS.…”

Section: Resultsmentioning

confidence: 99%

Tailoring Bandgap of Perovskite BaTiO3 by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study

Yang

Xie

et al. 2018

Nanomaterials

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The physical and chemical properties of V-M″ and Nb-M″ (M″ is 3d or 4d transition metal) co-doped BaTiO3 were studied by first-principles calculation based on density functional theory. Our calculation results show that V-M″ co-doping is more favorable than Nb-M″ co-doping in terms of narrowing the bandgap and increasing the visible-light absorption. In pure BaTiO3, the bandgap depends on the energy levels of the Ti 3d and O 2p states. The appropriate co-doping can effectively manipulate the bandgap by introducing new energy levels interacting with those of the pure BaTiO3. The optimal co-doping effect comes from the V-Cr co-doping system, which not only has smaller impurity formation energy, but also significantly reduces the bandgap. Detailed analysis of the density of states, band structure, and charge-density distribution in the doping systems demonstrates the synergistic effect induced by the V and Cr co-doping. The results can provide not only useful insights into the understanding of the bandgap engineering by element doping, but also beneficial guidance to the experimental study of BaTiO3 for visible-light photoelectrical applications.

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Section: Resultsmentioning

confidence: 99%

Tailoring Bandgap of Perovskite BaTiO3 by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study

Yang

Xie

et al. 2018

Nanomaterials

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“…Under the 0.06 tensile strain, the strength of hybridization between C p and Mn 3d stares is reduced. Then, the spin-up Mn − 3d state is shifted to lower energies and cross through the Fermi level, which leads to the double-exchange coupling enhancement [61]. So the magnetic coupling is FM under the strain larger than 0.05.…”

Section: Strain Effect On Magnetic Couplingmentioning

confidence: 99%

Tunable room-temperature ferromagnetism in the SiC monolayer

Huang

Yao

2019

Journal of Magnetism and Magnetic Materials

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It is essential to explore two-dimensional (2D) material with magnetic ordering in new generation spintronic devices. Particularly, the seeking of roomtemperature 2D ferromagnetic (FM) materials is a hot topic of current research. Here, we study magnetism of the Mn-doped and electron-doped SiC monolayer using first-principle calculations. For the Mn-doped SiC monolayer, we find that either electron or hole could mediate the ferromagnetism in the system and the Curie temperature (T C ) can be improved by appropriate carrier doping. The codoping strategy is also discussed on improving T C . The transition between antiferromagnetic and FM phase can be found by strain engineering. The T C is improved above room temperature (RT) under the strain larger than 0.06. Moreover, the Mn-doped SiC monolayer develops half-metal at the strain range of 0.05 − 0.1. On the other hand, the direct electron doping can induce ferromagnetism due to the van Hove singularity in density of states of the conduction band edge of the SiC monolayer. The T C is found to be around RT. These fascinating controllable electronic and magnetic properties are desired for spintronic applications.

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“…[4]. 15 It is generally thought that DMSs, especially doped with low concentrations of magnetic metal ions, are suitable for spin-based multifunctional devices.…”

Section: Introductionmentioning

confidence: 99%

“…As a brief history magnetic exchange coupling constant calculations has been greatly carried out by RKKY method [3,13] and quantum chemical methods using Ab−initio calculations [3,14,15]. Although former is more feasible to aspect of our system, latters explicitly yield better results for common understanding.…”

mentioning

confidence: 99%

A computational study on magnetic effects of Zn1−xCrxO
Duru
¹
,
Değer
²
,
Kalaycı
³

et al. 2015
Journal of Magnetism and Magnetic Materials
15
1
8
0
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Stabilization of ferromagnetism in (Cr, V) co-doped ZnO diluted magnetic semiconductors

Cited by 14 publications

References 51 publications

Tailoring Bandgap of Perovskite BaTiO3 by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study

Tailoring Bandgap of Perovskite BaTiO3 by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study

Tunable room-temperature ferromagnetism in the SiC monolayer

A computational study on magnetic effects of Zn1−xCrxO
Duru
¹
,
Değer
²
,
Kalaycı
³

et al. 2015
Journal of Magnetism and Magnetic Materials
15
1
8
0
View full text Add to dashboard Cite

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Stabilization of ferromagnetism in (Cr, V) co-doped ZnO diluted magnetic semiconductors

Cited by 14 publications

References 51 publications

Tailoring Bandgap of Perovskite BaTiO3 by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study

Tailoring Bandgap of Perovskite BaTiO3 by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study

Tunable room-temperature ferromagnetism in the SiC monolayer

A computational study on magnetic effects of Zn1−xCrxODuru1, Değer2, Kalaycı3 et al. 2015Journal of Magnetism and Magnetic Materials15180View full textAdd to dashboardCite

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A computational study on magnetic effects of Zn1−xCrxO
Duru
¹
,
Değer
²
,
Kalaycı
³

et al. 2015
Journal of Magnetism and Magnetic Materials
15
1
8
0
View full text Add to dashboard Cite