Combined theoretical and experimental study of the electronic and optical property of Sb2WO6
نویسندگان
چکیده
Both theoretical and experimental analysis are carried out to understand the physical properties of fascinating electronic optical antimony tungstate (Sb$_2$WO$_6$). The nanosized ($\sim 40-80~nm$) material is produced using hydrothermal method followed by SEM XRD find structural properties. present calculations PBEsol PBE approximations for exchange-correlation potential compared with parameters in case approach predicted crystal simulated pattern excellent agreement results. absorption spectra measured ultraviolet-visible range give bandgap $2.42 ~eV$, while most intense peak photoluminescence found at $468nm~(2.65 ~eV)$. Using density functional theory (DFT) technique, band structure states \swo~ calculated $2.62 ~eV$ finding. From partial we identify that formed between O$-2p_y$ orbitals bonded Sb valence maxima W$-5d_{x^2-y^2}$ orbital conduction minima. atomic level transitions responsible peaks identified as well means DFT calculations. Following matching observations, reveal plasma frequency be equal $13.36 ~eV$.
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ژورنال
عنوان ژورنال: Journal of Alloys and Compounds
سال: 2021
ISSN: ['0925-8388', '1873-4669']
DOI: https://doi.org/10.1016/j.jallcom.2021.160586