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Unraveling the effect of Gd doping on the structural, optical, and magnetic properties of ZnO based diluted magnetic semiconductor nanorods.

ABSTRACT: The structural, magnetic, and optical properties of the pristine and Gd-doped ZnO nanorods (NRs), prepared by facile thermal decomposition, have been studied using a combination of experimental and density functional theory (DFT) with Hubbard U correction approaches. The XRD patterns demonstrate the single-phase wurtzite structure of the pristine and doped ZnO. The rod-like shape of the nanoparticles has been examined by FESEM and TEM techniques. Elemental compositions of the pure and doped samples were identified by EDX measurement. Due to the Burstein-Moss shift, the optical band gaps of the doped samples have been widened compared to pristine ZnO. The PL spectra show the presence of complex defects. Room temperature magnetic properties have been measured using VSM and revealed the coexistence of paramagnetic and weak ferromagnetic ordering in Gd³⁺ doped ZnO-NRs. The magnetic moment was increased upon addition of more Gd ions into the ZnO host lattice. The DFT+U calculations confirm that the presence of vacancy-complexes has a significant effect on the structural, electronic, and magnetic properties of a pristine ZnO system.

SUBMITTER: Obeid MM

PROVIDER: S-EPMC9073360 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

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Unraveling the effect of Gd doping on the structural, optical, and magnetic properties of ZnO based diluted magnetic semiconductor nanorods.

Obeid Mohammed M MM Jappor Hamad R HR Al-Marzoki Kutaiba K Al-Hydary Imad Ali IA Edrees Shaker J SJ Shukur Majid M MM

RSC advances 20191016 57

The structural, magnetic, and optical properties of the pristine and Gd-doped ZnO nanorods (NRs), prepared by facile thermal decomposition, have been studied using a combination of experimental and density functional theory (DFT) with Hubbard U correction approaches. The XRD patterns demonstrate the single-phase wurtzite structure of the pristine and doped ZnO. The rod-like shape of the nanoparticles has been examined by FESEM and TEM techniques. Elemental compositions of the pure and doped samp ...[more]

PMID: 35529138

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Project description:Recently, understanding the origin of induced magnetic characteristics in transition metal atom-doped QDs has been a major focus owing to their potential applications in the area of spintronic devices. A detailed experimental and theoretical investigation was conducted to understand the physical properties of Co-doped ZnS QDs containing different weight percentages of Co atoms [CoxZn1-xS (x = 0.00, 0.03, 0.06, and 0.09)], prepared using chemical co-precipitation techniques. X-ray diffraction studies proved that all the prepared QDs formed an extremely pure cubic zinc blende crystallographic phase free of contaminants. The validation of the quantum dot nature of all the samples was provided by the HRTEM images, BET studies, and blue shift in the absorption spectra. Both the obtained FTIR and PL spectra at room temperature also confirmed the phase purity of the prepared QDs. The observed weak ferromagnetic behavior of the doped samples was due to the presence of p-d hybridization between the 3d levels of Co2+ ions and 3p levels of S2- ions of the host ZnS QDs. Hysteresis loops that were obtained at room temperature validated this weak ferromagnetic nature. These obtained results were also supported theoretically using DFT calculations. FDTD simulations provided a detailed explanation for the observed blue shift in the absorption spectra originating from the quantum confinement effect of doped and undoped ZnS QDs. The dielectric properties of all the samples were examined properly, and it was also found that the grain boundaries contributed effectively to providing the dielectric response. The doped ZnS sample containing more Co dopants at low frequencies showed a progressive rise in polarisation loss. In addition, Co-doped ZnS QDs are efficient photocatalysts. A pH-dependent photodegradation test of ciprofloxacin (CIP) antibiotic was conducted using 9% Co-doped ZnS QDs. It was observed that 9% Co-doped ZnS nanocatalysts has sufficient capability to degrade CIP to around 94.7% in a solution of pH 10 within one hour. Therefore, besides showing photocatalytic effects, Co-doped ZnS QDs act as ideal dilute magnetic semiconductors (DMSs) and will undoubtedly become excellent candidates for the microelectronics industry because of their special ability to exhibit spin-dependent magneto-electro-optical properties that find use in spin-polarized light-emitting diodes, solid-state lasers, and spin-transistor devices.

Dataset Information

Unraveling the effect of Gd doping on the structural, optical, and magnetic properties of ZnO based diluted magnetic semiconductor nanorods.

Publications

Unraveling the effect of Gd doping on the structural, optical, and magnetic properties of ZnO based diluted magnetic semiconductor nanorods.

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