The investigation of Ce doped ZnO crystal: The electronic, optical and magnetic properties

Wen, Jun-Qing; Jian-min, Zhang; Qiu, Zegang; Yang, Xu; Li, Zhiqin

doi:10.1016/j.physb.2018.01.035

Cited by 43 publications

(10 citation statements)

References 33 publications

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“…Negative formation energies for all RE doped samples indicate their structural stability, which shows good agreement with prior studies of Ce doped ZnO. 16…”

Section: Resultssupporting

confidence: 88%

“…These superb characteristics of ZnO have led to its widespread use in a variety of applications, such as sensors, catalysts, luminescence, optoelectronics, nano-piezoelectric, biomedical devices, light-emitting diode, porous ceramics, photodetectors, surface coating, supercapacitors, and most importantly, in solar cells. 1,8,9,16–19…”

Section: Introductionmentioning

confidence: 99%

“…Moreover, prior experimental and computational works used different techniques, and different levels of theory, respectively to study the doped ZnO samples, thus making it difficult to choose and/or rank the best RE elements. For example, Wen et al 16 studied the electronic, magnetic, and optical properties of Ce-doped ZnO, Honglin et al 17 implemented both experimental and DFT+U theory to study the optical and structural properties of La, Er, and Nd-doped ZnO nanopowder, Thi et al 18 studied the photocatalytic degradation of paracetamol using La-doped ZnO nanoparticle, Alam et al , studied the photocatalytic activity of sol–gel derived La, Nd, Sm, and Dy doped ZnO for degradation of dyes. 8 Consequently, it has become very challenging to identify the best RE element which can enhance the visible light absorption capability of ZnO so that it could utilize most of the visible solar spectrum.…”

Section: Introductionmentioning

confidence: 99%

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Understanding the role of rare-earth metal doping on the electronic structure and optical characteristics of ZnO

Rahman

Rahaman

Chowdhury

et al. 2022

Mol. Syst. Des. Eng.

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“…Negative formation energies for all RE doped samples indicate their structural stability, which shows good agreement with prior studies of Ce doped ZnO. 16…”

Section: Resultssupporting

confidence: 88%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Understanding the role of rare-earth metal doping on the electronic structure and optical characteristics of ZnO

Rahman

Rahaman

Chowdhury

et al. 2022

Mol. Syst. Des. Eng.

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show abstract

“…However, it is much less than the experimental value (3.37 eV), which is due to the limitation of DFT in GGA. This paper uses the GGA + U method to correct the band gap [23,24,25,26]. After several iterations, it was found that in all the systems the 3d state of Zn and the 2p state of O take U = 5 eV and U = 8 eV, respectively.…”

Section: Theoretical Methods and Experimental Detailsmentioning

confidence: 99%

Cu-Doped ZnO Electronic Structure and Optical Properties Studied by First-Principles Calculations and Experiments

et al. 2019

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The band structure, the density of states and optical absorption properties of Cu-doped ZnO were studied by the first-principles generalized gradient approximation plane-wave pseudopotential method based on density functional theory. For the Zn1-xCuxO (x = 0, x = 0.0278, x = 0.0417) original structure, geometric optimization and energy calculations were performed and compared with experimental results. With increasing Cu concentration, the band gap of the Zn1-xCuxO decreased due to the shift of the conduction band. Since the impurity level was introduced after Cu doping, the conduction band was moved downwards. Additionally, it was shown that the insertion of a Cu atom leads to a red shift of the optical absorption edge, which was consistent with the experimental results.

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“…Within this context, DFT calculations appear to be a powerful tool to study not just the electric and structural properties of ZnO and ZnO:NFM materials, but also the mechanisms responsible for the RTFM behavior [ 31 , 32 , 33 ].…”

Section: Introductionmentioning

confidence: 99%

Improving the Room-Temperature Ferromagnetism in ZnO and Low-Doped ZnO:Ag Films Using GLAD Sputtering

et al. 2021

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ZnO and doped ZnO films with non-ferromagnetic metal have been widely used as biosensor elements. In these studies, the electrochemical measurements are explored, though the electrical impedance of the system. In this sense, the ferromagnetic properties of the material can be used for multifunctionalization of the sensor element using external magnetic fields during the measurements. Within this context, we investigate the room-temperature ferromagnetism in pure ZnO and Ag-doped ZnO films presenting zigzag-like columnar geometry. Specifically, we focus on the films’ structural and quasi-static magnetic properties and disclose that they evolve with the doping of low-Ag concentrations and the columnar geometry employed during the deposition. The magnetic characterization reveals ferromagnetic behavior at room temperature for all studied samples, including the pure ZnO one. By considering computational simulations, we address the origin of ferromagnetism in ZnO and Ag-doped ZnO and interpret our results in terms of the Zn vacancy dynamics, its substitution by an Ag atom in the site, and the influence of the columnar geometry on the magnetic properties of the films. Our findings bring to light an exciting way to induce/explore the room-temperature ferromagnetism of a non-ferromagnetic metal-doped semiconductor as a promising candidate for biosensor applications.

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The investigation of Ce doped ZnO crystal: The electronic, optical and magnetic properties

Cited by 43 publications

References 33 publications

Understanding the role of rare-earth metal doping on the electronic structure and optical characteristics of ZnO

Understanding the role of rare-earth metal doping on the electronic structure and optical characteristics of ZnO

Cu-Doped ZnO Electronic Structure and Optical Properties Studied by First-Principles Calculations and Experiments

Improving the Room-Temperature Ferromagnetism in ZnO and Low-Doped ZnO:Ag Films Using GLAD Sputtering

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