First-principles study of possible shallow donors in ZnAl<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>4</mml:mn></mml:msub></mml:math>spinel

Dixit, Hemant; Tandon, Nandan; Cottenier, Stefaan; Saniz, R.; Lamoen, D.; Partoens, B.

doi:10.1103/physrevb.87.174101

Cited by 61 publications

(27 citation statements)

References 26 publications

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“…Considering that ZnAl 2 O 4 is a direct bandgap semiconductor32, the Eg of the ZnAl 2 O 4 samples can be estimated from plots of (αhν)2 versus hν using the Tauc relation33. This is shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

A comparative study of ZnAl2O4 nanoparticles synthesized from different aluminum salts for use as fluorescence materials

Wang

Sun

Fang

et al. 2015

Sci Rep

145

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Three ZnAl2O4 samples were prepared via a modified polyacrylamide gel method using a citric acid solution with different aluminum salt starting materials, including AlCl3∙6H2O, Al2(SO4)3∙18H2O, and Al(NO3)3∙9H2O under identical conditions. The influence of different aluminum salts on the morphologies, phase purity, and optical and fluorescence properties of the as-prepared ZnAl2O4 nanoparticles were studied. The experimental results demonstrate that the phase purity, particle size, morphology, and optical and fluorescence properties of ZnAl2O4 nanoparticles can be manipulated by the use of different aluminum salts as starting materials. The energy bandgap (Eg) values of ZnAl2O4 nanoparticles increase with a decrease in particle size. The fluorescence spectra show that a major blue emission band around 400 nm and two weaker side bands located at 410 and 445 nm are observed when the excitation wavelength is 325 nm. The ZnAl2O4 nanoparticles prepared from Al(NO3)3∙9H2O exhibit the largest emission intensity among the three ZnAl2O4 samples, followed in turn by the ZnAl2O4 nanoparticles prepared from Al2(SO4)3∙18H2O and AlCl3∙6H2O. These differences are attributed to combinational changes in Eg and the defect types of the ZnAl2O4 nanoparticles.

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Section: Resultsmentioning

confidence: 99%

A comparative study of ZnAl2O4 nanoparticles synthesized from different aluminum salts for use as fluorescence materials

Wang

Sun

Fang

et al. 2015

Sci Rep

145

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“…It is a wide band gap material with band gap value of ~3.8 eV in bulk form 11 . It is a n-type semiconducting material, its conductivity prominently attributed to Al Zn antisite defects which is a shallow defect near conduction band edge accompanied by cationic vacancies 12 . Due to complex crystal structure and multiple defect centers such as cationic-anionic vacancies, antisite defects and cationic interstitial, it shows alluring luminescence [6][7][8][9] .…”

mentioning

confidence: 99%

“…Due to complex crystal structure and multiple defect centers such as cationic-anionic vacancies, antisite defects and cationic interstitial, it shows alluring luminescence [6][7][8][9] . Most of the work has been reported on photoluminescence of undoped as well as doped ZnAl 2 O 4 [8][9][10][12][13][14][15][16] . However, in order to understand the defect levels and their nature in a material, it must be studied rigorously, which can be brought about by TL study.…”

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confidence: 99%

Defect states and kinetic parameter analysis of ZnAl2O4 nanocrystals by X-ray photoelectron spectroscopy and thermoluminescence

Jain

Manju

Kumar

et al. 2020

Sci Rep

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Defect states in ZnAl 2 o 4 have a significant role in its applicability as a luminescent material. To understand the nature and distribution of defects in its crystal lattice, thermoluminescence (TL) study has been carried out. Excellent TL response is observed from γand ultraviolet-irradiated samples at different doses and exposure durations, respectively. Different type of fuels employed in combustion synthesis show a remarkable effect on the trap distribution and hence luminescence properties. Shallow and deep traps are observed in crystals attributed to O − vacancies and F + centers. The mechanism of trapping, retrapping and recombination have been depicted through schematic band model diagram. X-ray photoelectron spectroscopy indicated the presence of various types of defects specifically Al Zn antisite defect, oxygen and zinc vacancies which are further upheld by photoluminescence and Raman spectroscopy. All results when summed up, predict ZnAl 2 o 4 to be a quality material for dosimetry.

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“…Gahnite is characterised by its prominent performance such as high melting temperature (1950°C), low thermal expansion coefficient (5.5 × 10 −6 /°C, 25-1000°C) as well as high thermal stability and good resistance to acids and bases [12]. Gahnite (ZnAl 2 O 4 ) is also a ceramic, which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency in UV [30]. In addition, it has been reported that strontium-hardystonite-gahnite has a significant potential for use in surgical procedures where bone regeneration under load-bearing is required [31].…”

Section: Discussionmentioning

confidence: 99%

Effect of zinc substitution for calcium on the crystallisation of calcium fluoro-alumino-silicate glasses

Zhang

Stamboulis

2016

Journal of Non-Crystalline Solids

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A series of 25, 60, 75 and 100 mol% zinc substituted for calcium ionomer glasses of the composition 4.5SiO 2 -3Al 2 O 3 -1.5P 2 O 5 -3CaO-2CaF 2 were produced following a well-established melt quench route. Similar glass compositions have been widely used in dentistry as the glass component in glass ionomer cements. The glasses crystallise to an apatite and mullite phase after appropriate heat treatments and are interesting materials for bone repair. Zinc is a bactericidal agent and has shown ability to stimulate osteogenesis. The new zinc containing glass compositions were characterised by Helium Pycnometer, DSC, TGA, SEM and EDX. The density of the zinc substituted glasses and glass-ceramics increased with increasing the zinc content as expected. The glass transition temperature decreased with zinc substitution, whereas the crystallisation temperature increased with zinc substitution. Zinc substituted glasses lead to the formation of gahnite in expense of mullite. Fluorapatite formation was not favoured in high zinc content glass ceramics, whereas loss of fluorine in the form of SiF 4 was suggested. SEM and EDX analysis showed significant changes in the morphology of glass ceramics with zinc substitution. The formation of gahnite during glass crystallisation may open new application avenues for these materials in the field of semiconducting materials.

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First-principles study of possible shallow donors in ZnAl2O4spinel

Cited by 61 publications

References 26 publications

A comparative study of ZnAl2O4 nanoparticles synthesized from different aluminum salts for use as fluorescence materials

A comparative study of ZnAl2O4 nanoparticles synthesized from different aluminum salts for use as fluorescence materials

Defect states and kinetic parameter analysis of ZnAl2O4 nanocrystals by X-ray photoelectron spectroscopy and thermoluminescence

Effect of zinc substitution for calcium on the crystallisation of calcium fluoro-alumino-silicate glasses

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