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<p>Cobalt ditellurite (CoTe₂O₅) is a promising material for optical and vibrational applications; However, previous studies rarely combine structural and spectroscopic investigations to correlate crystal structure with optical behavior. The objective of this study is to synthesize and systematically analyze CoTe₂O₅ single crystals and establish the relationship between their structural and optical properties. The crystals were grown using slow-cooling flux technique with SiO and TiO₂ precursors and characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman, and UV-visible spectroscopy. Origin Pro and Python-based spectral peak-fitting tools were employed to perform Gaussian deconvolution and quantitative peak analysis. XRD confirmed an orthorhombic structure with the PNAB space group. FTIR spectra revealed six absorption bands within 550–3500&#xa0;cm⁻¹ associated with Co-O and Ti-O vibrations, while Raman spectra displayed dominant modes at 430 and 630&#xa0;cm⁻¹ corresponding to CoO₆ octahedral vibrations. Using the direct Tock relation (αhν)² versus hν the optical band gap was determined as 4.36&#xa0;eV, indicating suitable insulating behavior for the optical material. Python-assisted spectral fitting reduced peak-fitting error by approximately 18% compared to manual fitting, thereby improving spectral interpretation reliability. These results confirm the structural integrity and optical capability of CoTe₂O₅ single crystals.</p>

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Synthesis, optical and raman spectra of cobalt ditellurite, CoTe2O5 single crystal

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月30日

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  • Papireddy Tiyyagura,
  • Nagarjuna Rao Mamidipalli,
  • Aele Manohar,
  • K. Suresh Babu,
  • Raju Vidap

摘要

Cobalt ditellurite (CoTe₂O₅) is a promising material for optical and vibrational applications; However, previous studies rarely combine structural and spectroscopic investigations to correlate crystal structure with optical behavior. The objective of this study is to synthesize and systematically analyze CoTe₂O₅ single crystals and establish the relationship between their structural and optical properties. The crystals were grown using slow-cooling flux technique with SiO and TiO₂ precursors and characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman, and UV-visible spectroscopy. Origin Pro and Python-based spectral peak-fitting tools were employed to perform Gaussian deconvolution and quantitative peak analysis. XRD confirmed an orthorhombic structure with the PNAB space group. FTIR spectra revealed six absorption bands within 550–3500 cm⁻¹ associated with Co-O and Ti-O vibrations, while Raman spectra displayed dominant modes at 430 and 630 cm⁻¹ corresponding to CoO₆ octahedral vibrations. Using the direct Tock relation (αhν)² versus hν the optical band gap was determined as 4.36 eV, indicating suitable insulating behavior for the optical material. Python-assisted spectral fitting reduced peak-fitting error by approximately 18% compared to manual fitting, thereby improving spectral interpretation reliability. These results confirm the structural integrity and optical capability of CoTe₂O₅ single crystals.