Volume 10, Issue 2 (9-2021)                   2021, 10(2): 64-80 | Back to browse issues page

‎ 20.1001.1.23222352.1400.10.2.8.5

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Calculation of electronic, structural and optical propreties of Sr2NiWO6 in two phase by FP-LAPW method. Iranian Journal of Ceramic Science & Engineering 2021; 10 (2) :64-80
URL: http://ijcse.ir/article-1-865-en.html
Calculation of electronic, structural and optical propreties of Sr2NiWO6 in two phase by FP-LAPW method
Abstract:   (1705 Views)
In this paper, we investigate the structural, electronic and optical properties of tetragonal and cubic phase ofSr2NiWO6. The calculations have been performed using the FP-LAPW method in the framework of perturbation density functional theory whit GGA+U approximation by Wien2k package. In this research structural properties of  Sr2NiWO6such as lattice constants, bulk modulus and its derivative properties are investigated during structural calculations. The result of band structureshow that there isbandgap 2.80 eV for tetragonal and 2.73 eV for cubic phase. The calculated are in good agreement with theoretical and experimental results.
Keywords: : Double perovskites, density functional theory, bulk modul, bandstructure.
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Type of Study: Research | Subject: Tile, Porcelain, Glaze, Pigment and Ink
Received: 2021/09/7 | Accepted: 2021/09/1
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