Ferromagnetism in Fe-doped ZnO nanocrystals: Experiment and theory

Karmakar, Debjani; Mandal, S. K.; Kadam, R.M.; Paulose, P. L.; Rajarajan, A. K.; Nath, T. K.; Das, A. K.; Dasgupta, Indra; Das, G. P.

doi:10.1103/physrevb.75.144404

Cited by 402 publications

(251 citation statements)

References 73 publications

(168 reference statements)

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“…Recently, Karmakar et al 18 have reported room temperature ferromagnetism in Fe-doped ZnO ͑ZnO:Fe͒ nanoparticles in the proposed core/shell structure, where Fe 2+ ions are situated mostly in the core and Fe 3+ ions in the surface region. However, LSDA+ U calculation 19 has indicated the insulating antiferromagnetic state to be more stable than the ferromagnetic state for ZnO:Fe system.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and magnetism of the diluted magnetic semiconductor Fe-doped ZnO nanoparticles

Kataoka

Kobayashi

Sakamoto

et al. 2010

Journal of Applied Physics

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Articles you may be interested inEvidence of a cluster glass-like behavior in Fe-doped ZnO nanoparticles J. Appl. Phys. 115, 17E123 (2014) We have studied the electronic structure of Fe-doped ZnO nanoparticles, which have been reported to show ferromagnetism at room temperature, by x-ray photoemission spectroscopy, resonant photoemission spectroscopy, x-ray absorption spectroscopy, and x-ray magnetic circular dichroism ͑XMCD͒. From the experimental and cluster-model calculation results, we find that Fe atoms are predominantly in the Fe 3+ ionic state with mixture of a small amount of Fe 2+ and that Fe 3+ ions are dominant in the surface region of the nanoparticles. It is shown that the room temperature ferromagnetism in the Fe-doped ZnO nanoparticles primarily originated from the antiferromagnetic coupling between unequal amounts of Fe 3+ ions occupying two sets of nonequivalent positions in the region of the XMCD probing depth of ϳ2 -3 nm.

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Section: Introductionmentioning

confidence: 99%

Electronic structure and magnetism of the diluted magnetic semiconductor Fe-doped ZnO nanoparticles

Kataoka

Kobayashi

Sakamoto

et al. 2010

Journal of Applied Physics

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“…[1][2][3][4][5][6] Recently, Karmakar et al 5 have found FM in Fe doped ZnO nanocrystals. However, for these systems the local probes like electron paramagnetic resonance and electron spin resonance reveal an unusual ionic state of the dopant Fe atoms.…”

Section: Introductionmentioning

confidence: 99%

“…An exciting material is transition metal ͑TM͒ doped ZnO nanocrystals where ferromagnetism ͑FM͒ is reported even at high temperatures. [1][2][3][4][5][6] This system has received special attention as naturally abundant environment friendly ZnO with its wide band gap coupled with magnetism may provide a unique opportunity to achieve electronic, magnetoelectronic, and optoelectronic multifunctionality in a single system.…”

Section: Introductionmentioning

confidence: 99%

Electronic structure and magnetism of transition metal doped Zn12O12 clusters: Role of defects

Ganguli

Dasgupta

Sanyal

2010

Journal of Applied Physics

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Impacts of enhanced electronic correlation in anion p-orbitals on electronic structure and magnetic properties of nitrogen or carbon doped zinc oxide J. Appl. Phys. 111, 07E313 (2012) Magneto-optical spectrum of ZnO nanorods J. Appl. Phys. 111, 044305 (2012) First-principles study on electronic structures and magnetic properties of AlN nanosheets and nanoribbons J. Appl. Phys. 111, 043702 (2012) p-f hybridization in the ferromagnetic semiconductor HoN Appl. Phys. Lett. 100, 072108 (2012) Visible light photocatalysis of single-walled (Zn4/6Cu2/6O)3/(Zn5/6Cu1/6O)3 superlattice nanotube for redox reaction of water calculated by generalized gradient approximations with the Hubbard U model J. Appl. Phys. 111, 034318 (2012) Additional information on J. Appl. Phys. We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals ͑TMs͒ using ab initio density functional calculations in the framework of generalized gradient approximation+ Hubbard U ͑GGA+ U͒ method. Our results within GGA+ U for all 3d dopants except Ti indicate that antiferromagnetic interaction dominates in a neutral, defect-free cluster. Formation energies are calculated to identify the stable defects in the ZnO cluster. We have analyzed in details the role of these defects to stabilize ferromagnetism when the cluster is doped with Mn, Fe, and Co. Our calculations reveal that in the presence of charged defects the TM atoms residing at the surface of the cluster may have an unusual oxidation state, that plays an important role to render the cluster ferromagnetic. Defect induced magnetism in ZnO clusters without any TM dopants is also analyzed. These results on ZnO clusters may have significant contributions in the nanoengineering of defects to achieve desired ferromagnetic properties for spintronic applications.

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“…This ionic configuration is important to stabilize ferromagnetism as was speculated in a recent experiment. 4 This is further illustrated in Fig. 3 where we have considered a particular case namely a pair of Fe atoms substituted into the ZnO cluster in the presence of a Zn vacancy in the charged state −1.…”

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“…Kittilstved et al 3 have shown the importance of defects for ferromagnetism in Mn and Co-doped ZnO nano-crystals. Very recently, Karmakar et al 4 have indicated that the coexistence of Fe 2+ and Fe 3+ states promotes ferromagnetism in Fe doped ZnO nano-cluster. They argued that the surface electronic structure of these nanoparticles is quite different from the core presumably due to defects and is dominated by Fe 3+ ions, which is crucial for the magnetic properties.…”

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The making of ferromagnetic Fe doped ZnO nanoclusters

Ganguli

Dasgupta

Sanyal

2009

Applied Physics Letters

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In this letter, the authors present a study of the energetics and magnetic interactions in Fe doped ZnO clusters by ab-initio density functional calculations. The results indicate that defects under suitable conditions can induce ferromagnetic interactions between the dopant Fe atoms whereas antiferromagnetic coupling dominates in a neutral defect-free cluster. The calculations also reveal an unusual ionic state of the dopant Fe atom residing at the surface of the cluster, a feature that is important to render the cluster ferromagnetic.Mn doped GaAs is a prototype diluted magnetic semiconductor (DMS). However its Curie temperature could be raised only to a maximum of ∼170 K 1 making it hardly useful for room temperature spintronic applications. For room temperature ferromagnetism (FM) ZnO and GaN were predicted to be promising as host materials. 2 Following this theoretical prediction there has been an avalanche of experimental work to realize room temperature FM in these systems. Among these materials transition metal (TM) doped ZnO received special attention as it was possible to dope TM's not only in bulk ZnO but also in thin films as well as nano-crystalline form of ZnO. However the experimental results on the realization of room temperature FM are highly controversial but there is general consensus that FM strongly depends on methods and conditions employed in the preparation of the samples.Nanoclusters of ZnO capable of sustaining ferromagnetic order are of particular interest since a clear understanding of the finite size effect on the magnetic properties of such systems is essential for the development of high-density storage media with nano sized constituent

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Ferromagnetism in Fe-doped ZnO nanocrystals: Experiment and theory

Cited by 402 publications

References 73 publications

Electronic structure and magnetism of the diluted magnetic semiconductor Fe-doped ZnO nanoparticles

Electronic structure and magnetism of the diluted magnetic semiconductor Fe-doped ZnO nanoparticles

Electronic structure and magnetism of transition metal doped Zn12O12 clusters: Role of defects

The making of ferromagnetic Fe doped ZnO nanoclusters

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