Electronic and Magnetic Properties of Rare‐Earth Metals Doped ZnO Monolayer

Tan, Changlong; Xu, Dianshuang; Zhang, Kun; Tian, Xiaohua; Cai, Wei

doi:10.1155/2015/329570

Cited by 15 publications

(6 citation statements)

References 42 publications

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“…On the other hand, in RE elements, the peripheral 4f electrons are localized, having indirect exchange interactions among 5d or 6s conduction electrons. Therefore, RE elements can be expected to have a high total magnetic moments per atom owing to its high orbital momentum than that of TMs [ 113 , 251 ]. Various TMs such as Fe, Co, Cr, Mn, and Ni, and RE elements such as Eu, Tb, La and Gd have been exploited as dopants for creating doped ZnO NPs DMS.…”

Section: Use Of Doped Zno Nps In the Biomedical Fieldmentioning

confidence: 99%

Doped Zinc Oxide Nanoparticles: Synthesis, Characterization and Potential Use in Nanomedicine

et al. 2020

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Smart nanoparticles for medical applications have gathered considerable attention due to an improved biocompatibility and multifunctional properties useful in several applications, including advanced drug delivery systems, nanotheranostics and in vivo imaging. Among nanomaterials, zinc oxide nanoparticles (ZnO NPs) were deeply investigated due to their peculiar physical and chemical properties. The large surface to volume ratio, coupled with a reduced size, antimicrobial activity, photocatalytic and semiconducting properties, allowed the use of ZnO NPs as anticancer drugs in new generation physical therapies, nanoantibiotics and osteoinductive agents for bone tissue regeneration. However, ZnO NPs also show a limited stability in biological environments and unpredictable cytotoxic effects thereof. To overcome the abovementioned limitations and further extend the use of ZnO NPs in nanomedicine, doping seems to represent a promising solution. This review covers the main achievements in the use of doped ZnO NPs for nanomedicine applications. Sol-gel, as well as hydrothermal and combustion methods are largely employed to prepare ZnO NPs doped with rare earth and transition metal elements. For both dopant typologies, biomedical applications were demonstrated, such as enhanced antimicrobial activities and contrast imaging properties, along with an improved biocompatibility and stability of the colloidal ZnO NPs in biological media. The obtained results confirm that the doping of ZnO NPs represents a valuable tool to improve the corresponding biomedical properties with respect to the undoped counterpart, and also suggest that a new application of ZnO NPs in nanomedicine can be envisioned.

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Section: Use Of Doped Zno Nps In the Biomedical Fieldmentioning

confidence: 99%

Doped Zinc Oxide Nanoparticles: Synthesis, Characterization and Potential Use in Nanomedicine

et al. 2020

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“…Experimentally, Deng et al [41] synthesized a ZnO ML by reactive deposition of Zn on Au (111), which confirmed the existence of a ZnO ML graphite-like structure. Tan et al [42] investigated the structural, electronic, and magnetic properties of RE metals (RE = Y, Ce, Eu, Gd, and Dy) doped ZnO ML using the DMol 3 package. The ZnO ML with Ce, Eu, Gd, or Dy was magnetic, but Y-doped ZnO ML was a nonmagnetic semiconductor.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy

Wang

Liu

et al. 2020

Materials

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The electronic structures and optical characteristics of yttrium (Y)-doped ZnO monolayers (MLs) with vacancy (zinc vacancy, oxygen vacancy) were investigated by the first-principles density functional theory. Calculations were performed with the GGA+U (generalized gradient approximation plus U) approach, which can accurately estimate the energy of strong correlation semiconductors. The results show that the formation energy values of Y-doped ZnO MLs with zinc or oxygen vacancy (VZn, VO) are positive, implying that the systems are unstable. The bandgap of Y-VZn-ZnO was 3.23 eV, whereas that of Y-VO-ZnO was 2.24 eV, which are smaller than the bandgaps of pure ZnO ML and Y-doped ZnO MLs with or without VO. Impurity levels appeared in the forbidden band of ZnO MLs with Y and vacancy. Furthermore, Y-VZn-ZnO will result in a red-shift of the absorption edge. Compared with the pure ZnO ML, ZnO MLs with one defect (Y, VZn or VO), and Y-VZn-ZnO, the absorption coefficient of Y-VO-ZnO was significantly enhanced in the visible light region. These findings demonstrate that Y-VO-ZnO would have great application potential in photocatalysis.

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Section: Introductionmentioning

confidence: 99%

“…Numerous reports, on the other hand, have already shown that intrinsic defects and impurities can readily give rise to magnetism in ZnO allotropies, including monolayer, graphitic layers, thin films, nanowires and nanoribbons [19][20][21][22][23][24][25][26][27][28][29]. For instance, nonmetal (C, B, N, and K)- [27,29] and rareearth metal (Ce, Eu, Gd, and Dy)-doped ZnO monolayer [28] exhibits magnetic instability via first-principles calculations. Moreover, it has been shown by both exper imentally [20,22,26] and theoretically [19,23,24] that the Zn vacancy induces ferromagnetism in either thin films [20,22,24,26] and graphitic layers [19,23] of ZnO without the need of magnetic impurities.…”

Section: Introductionmentioning

confidence: 99%

Inducing and manipulating magnetization in 2D zinc–oxide by strain and external voltage

Taivansaikhan¹,

Tsevelmaa²,

Rhim³

et al. 2018

J. Phys.: Condens. Matter

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Two-dimensional (2D) structures that exhibit intriguing magnetic phenomena such as perpendicular magnetic anisotropy and its switchable feature are of great interests in spintronics research. Herein, the density functional theory studies reveal the critical impacts of strain and external gating on vacancy-induced magnetism and its spin direction in a graphene-like single layer of zinc oxide (ZnO). In contrast to the pristine and defective ZnO with an O-vacancy, the presence of a Zn-vacancy induces significant magnetic moments to its first neighboring O and Zn atoms due to the charge deficit. We further predict that the direction of magnetization easy axis reverses from an in-plane to perpendicular orientation under a practically achievable biaxial compressive strain of only ~1-2% or applying an electric field by means of the charge density modulation. This magnetization reversal is mainly driven by the strain- and electric-field-induced changes in the spin-orbit coupled d states of the first-neighbor Zn atom to a Zn-vacancy. These findings open interesting prospects for exploiting strain and electric field engineering to manipulate magnetism and magnetization orientation of 2D materials.

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Electronic and Magnetic Properties of Rare‐Earth Metals Doped ZnO Monolayer

Cited by 15 publications

References 42 publications

Doped Zinc Oxide Nanoparticles: Synthesis, Characterization and Potential Use in Nanomedicine

Doped Zinc Oxide Nanoparticles: Synthesis, Characterization and Potential Use in Nanomedicine

First-Principles Calculations of the Electronic Structure and Optical Properties of Yttrium-Doped ZnO Monolayer with Vacancy

Inducing and manipulating magnetization in 2D zinc–oxide by strain and external voltage

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