Diverse Spectroscopic Studies and First-Principles Investigations of the Zinc Vacancy Mediated Ferromagnetism in Mn-Doped ZnO Nanoparticles

Ponnusamy, Rajeswari; Selvaraj, S.; Ramachandran, Meera; Murugan, P.; Nambissan, P.M.G.; Dhanuskodi, S.

doi:10.1021/acs.cgd.6b00110

Cited by 41 publications

(15 citation statements)

References 68 publications

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“…Undoped and doped ZnO NPs of different shapes were reported to demonstrate significant emission changes, depending on capping molecules and solvents used. , The PL spectra of MZO-16 (dendrites) and MZO-18 (pyramid dimers) display three bands at ∼412, 435, and 464 (shoulder) nm, while the spectra of other samples show a broad peak with a maximum at ∼425 nm. The presence of three emission bands in the 400–500 nm range shows that defect states are introduced at several discrete energies within the band gap. , For elongated samples (MZO-1, MZO-3, and MZO-8), the defect states are partially quenched, which is reflected in featureless peaks with lower intensities. This allows us to conclude that PL properties are shape-dependent for the Mn-doped ZnO NPs discussed in this work.…”

Section: Resultsmentioning

confidence: 99%

“…The presence of three emission bands in the 400− 500 nm range shows that defect states are introduced at several discrete energies within the band gap. 56,61 For elongated samples (MZO-1, MZO-3, and MZO-8), the defect states are partially quenched, which is reflected in featureless peaks with lower intensities. This allows us to conclude that PL properties are shape-dependent for the Mn-doped ZnO NPs discussed in this work.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Oriented Attachment Is a Major Control Mechanism To Form Nail-like Mn-Doped ZnO Nanocrystals

Patterson¹,

Arora²,

Price³

et al. 2017

Langmuir

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Here, we present a controlled synthesis of Mn-doped ZnO nanoparticles (NPs) with predominantly nail-like shapes, whose formation occurs via tip-to-base-oriented attachment of initially formed nanopyramids, followed by leveling of sharp edges that lead to smooth single-crystalline "nails". This shape is prevalent in noncoordinating solvents such as octadecene and octadecane. Yet, the double bond in the former promotes oriented attachment. By contrast, Mn-doped ZnO NP synthesis in a weakly coordinating solvent, benzyl ether, results in dendritic structures because of random attachment of initial NPs. Mn-doped ZnO NPs possess a hexagonal wurtzite structure, and in the majority of cases, the NP surface is enriched with Mn, indicating a migration of Mn ions to the NP surface during the NP formation. When the NP formation is carried out without the addition of octadecyl alcohol, which serves as a surfactant and a reaction initiator, large, concave pyramid dimers are formed whose attachment takes place via basal planes. UV-vis and photoluminescence spectra of these NPs confirm the utility of controlling the NP shape to tune electro-optical properties.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

Oriented Attachment Is a Major Control Mechanism To Form Nail-like Mn-Doped ZnO Nanocrystals

Patterson¹,

Arora²,

Price³

et al. 2017

Langmuir

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“…Pal et al [38] showed that ferromagnetic behavior depends on many parameters, including the concentration and distribution type of transition metal ions, defect concentration, n-type doping, p-type doping, and particle morphology. Ponnusamy et al [53] believed that Zn vacancy (V Zn ) and bound magnetic polaron formed by nearby Mn 2+ interacted to form high-saturated magnetic intensity. Some people believe that the ferromagnetism behavior is attributed to the formation of some nanoscale nickel-related secondary phases, such as Ni precipitation and NiO.…”

Section: Resultsmentioning

confidence: 99%

Fabrication and Study on Magnetic-Optical Properties of Ni-Doped ZnO Nanorod Arrays

et al. 2019

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Zn1-xNixO nanorod arrays were prepared on Si substrates by magnetron sputtering and hydrothermal methods at 100 °C. We studied the effects of doped concentration and hydrothermal growth conditions on the crystal structure, morphology, photoluminescence, and magnetic properties of Zn1-xNixO nanorod arrays. The research results show that the Zn1-xNixO nanorod have the hexagonal wurtzite structure without the appearance of the second phase, and all samples have a highly preferred orientation of a (002) crystal face. The Zn1-xNixO nanorod arrays exhibit obvious room temperature ferromagnetism with saturation magnetization at 4.2 × 10−4 emu/g, the residual magnetization is 1.3 × 10−4 emu/g and the coercive field is 502 Oe, and also excellent luminescent properties with seven times greater luminous intensity than that of ZnO nanorod arrays. The redshift of the ultraviolet emission peak was found by Ni2+ doping. We further explained the source and essence of the magnetic properties of Zn1-xNixO nanorod arrays and deemed that the magnetic moment mainly comes from the hybrid electron exchange of O 2p and Ni 3d state.

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“…The results show that the doped systemis FM, and the Curie temperature can reach above room temperature. Ponnusamy et al [14] used first-principles to study the magnetic effect mediated by Zn vacancies in Mn-doped ZnO. The results show that the ferromagnetism in undoped ZnO originates from V Zn .…”

Section: Introductionmentioning

confidence: 99%

“…It has certain theoretical value for the design of new DMS. [14,20] showed that the doped system was relatively stable when Mn Zn was close to V O /V Zn . Therefore, the model with the closest Mn Zn to V Zn was selected in subsequent studies.…”

Section: Introductionmentioning

confidence: 99%

Effect of different Mn doping and point vacancy ratios on the magnetic properties of ZnO

Hou

Guan

Wang

2021

Eur. Phys. J. Appl. Phys.

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The magnetic source of Mn doping and Zn vacancy coexisting in ZnO is controversial. To solve this problem, this work used the generalized gradient approximation first-principle plane-wave ultrasoft pseudopotential + U method based on density functional theory to calculate the effect of different Mn doping to point vacancy ratios on the magnetic properties of ZnO. The formation energy of ZnO with different Mn-substituted Zn (MnZn) to oxygen/zinc vacancy (VO/VZn) ratios can be smaller and more stable in zinc (Zn)-rich conditions than in oxygen (O)-rich conditions. The ZnO system exhibits p-type half-metallic ferromagnetism when the MnZn to VZn ratio is 2: 1 or 2: 2. When the Mn doping amount is constant, the Zn vacancies increase and the total magnetic moment of the doped system decreases. For the ZnO system in which Mn doping and oxygen vacancies coexist, when the amount of oxygen vacancies is constant, with Mn doping increase, the magnetic moment becomes larger. Both Zn22Mn2O22 and Zn20Mn2O24 can achieve ferromagnetic characteristics above room temperature.

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Diverse Spectroscopic Studies and First-Principles Investigations of the Zinc Vacancy Mediated Ferromagnetism in Mn-Doped ZnO Nanoparticles

Cited by 41 publications

References 68 publications

Oriented Attachment Is a Major Control Mechanism To Form Nail-like Mn-Doped ZnO Nanocrystals

Oriented Attachment Is a Major Control Mechanism To Form Nail-like Mn-Doped ZnO Nanocrystals

Fabrication and Study on Magnetic-Optical Properties of Ni-Doped ZnO Nanorod Arrays

Effect of different Mn doping and point vacancy ratios on the magnetic properties of ZnO

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