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<strong>Synthesis, crystal structure and magnetic studies of ZnY2O4 oxide</strong>

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Title Statement <strong>Synthesis, crystal structure and magnetic studies of ZnY2O4 oxide</strong>
 
Added Entry - Uncontrolled Name Das, Bidhu Bhusan; Pondicherry University
Potu, Venugopal ; Pondicherry University
Ruppa, Govinda Rao ; Pondicherry University
 
Uncontrolled Index Term Chemistry: Materials chemistry
Sol-gel synthesis; Powder x-ray diffraction; Magnetic studies; Density functional theory calculations
 
Summary, etc. <strong><span lang="&quot;EN-US&quot;">ZnY<sub>2</sub>O<sub>4</sub> oxide is prepared by sol-gel method via nitrate-citrate route. Powder X-ray diffraction (XRD) study shows orthorhombic unit cell with lattice parameters: <em>a</em> = 10.8290 Ǻ, <em>b</em> = 7.4518 Ǻ, <em>c</em> = 6.0985 Ǻ, space group Pccn and <em>Z</em>=4. Average crystallite sizes determined by Scherrer relation are found to be ~26-59 nm showing the formation of nanopaticles in the oxide. On Rietveld refinement of the unit cell structure, the agreement factors are lowered to: <em>R</em><sub>p</sub>=97.02%, <em>R</em><sub>wp</sub>=95.91% and <em>R</em><sub>exp</sub>=0.23%. The selected bond lengths are: Y<sub>2</sub>-O<sub>1</sub>: 3.7389 Å, Y<sub>1</sub>-O<sub>2</sub>: 3.0492 Å, Y<sub>2</sub>-O<sub>3</sub>: 2.1847 Å and Zn-O<sub>1</sub>: 1.4088 Å, Zn-O<sub>2</sub>: 3.7035 Å, Zn-O<sub>3</sub>: 2.2777 Å. Formation of hysteresis loop in the range from-7.0 kG to +7.0 kG indicates the soft ferromagnetic nature of ZnY<sub>2</sub>O<sub>4 </sub>at 300 K. Density functional theory (DFT) calculation shows the valence band (VB) is spread over the range ~-9.0 to 0.0 and comprises mainly of O 2p and Y 4p, 4d, 5s orbitals, and the conduction band (CB) in the range from ~0.0 to 3.0 eV and comprises mainly of Y 4s, 4p and 4d orbitals. Very low value of energy band gap ~0.011 eV indicates weak semiconducting nature of ZnY<sub>2</sub>O<sub>4</sub>.</span></strong>
 
Publication, Distribution, Etc. Indian Journal of Pure & Applied Physics (IJPAP)
2015-06-12 11:18:27
 
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http://op.niscair.res.in/index.php/IJPAP/article/view/5419
 
Data Source Entry Indian Journal of Pure & Applied Physics (IJPAP); ##issue.vol## 53, ##issue.no## 6 (2015): Indian Journal of Pure & Applied Physics
 
Language Note en
 
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