<p>Copper (II) sulfate pentahydrate (CuSO<sub>4</sub>·5H<sub>2</sub>O) has emerged as a versatile material for optoelectronic and third-order nonlinear optical (NLO) applications, owing to its distinctive crystal structure and multifunctional properties. In this work, high-quality single crystals of CuSO<sub>4</sub>·5H<sub>2</sub>O were synthesized via a slow evaporation solution growth method, followed by comprehensive characterization. Powder X-ray diffraction (PXRD) analysis confirmed the material’s triclinic crystal system and revealed sharp diffraction peaks, indicative of excellent crystallinity. FTIR spectroscopy verified the presence of characteristic molecular vibrations, affirming the integrity of the hydrated sulfate composition. UV–Vis–NIR spectroscopy showed strong optical transparency in the 400–800&#xa0;nm range and a direct band gap of approximately 2.96&#xa0;eV, making the crystal suitable for photonics and second harmonic generation (SHG) applications. Dielectric and photoconductivity studies revealed the stable electrical behavior, including frequency-dependent polarization and enhanced conductivity under light exposure. Impedance spectroscopy yielded a charge transfer resistance of 961.43 Ω, suggesting effective ionic mobility. Cyclic voltammetry demonstrated reversible redox activity with a peak potential of − 1.058&#xa0;V and a total charge transfer of 184.51 μC. Third-order NLO properties, assessed through the Z-scan technique, revealed a nonlinear refractive index (n₂ =  − 3.687 × 10<sup>-11</sup> m<sup>2</sup>/W), a nonlinear absorption coefficient (<i>β</i> =  − 2.071 × 10<sup>-4</sup>&#xa0;m/W), and a third-order susceptibility (χ⁽<sup>3</sup>⁾ = 5.334 × 10<sup>-8</sup> esu). Closed aperture measurements indicated a self-defocusing effect, while open-aperture analysis confirmed reverse saturable absorption behavior. These optical nonlinearities establish CuSO<sub>4</sub>·5H<sub>2</sub>O as a promising material for advanced applications in photonics, optoelectronics, and nonlinear optics.</p>

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Structure–property correlation in CuSO₄·5H₂O crystals: a route to enhanced nonlinear optical performance

  • A. Alexandar,
  • B. Sahaya Infant Lasalle,
  • Muthu Senthil Pandian

摘要

Copper (II) sulfate pentahydrate (CuSO4·5H2O) has emerged as a versatile material for optoelectronic and third-order nonlinear optical (NLO) applications, owing to its distinctive crystal structure and multifunctional properties. In this work, high-quality single crystals of CuSO4·5H2O were synthesized via a slow evaporation solution growth method, followed by comprehensive characterization. Powder X-ray diffraction (PXRD) analysis confirmed the material’s triclinic crystal system and revealed sharp diffraction peaks, indicative of excellent crystallinity. FTIR spectroscopy verified the presence of characteristic molecular vibrations, affirming the integrity of the hydrated sulfate composition. UV–Vis–NIR spectroscopy showed strong optical transparency in the 400–800 nm range and a direct band gap of approximately 2.96 eV, making the crystal suitable for photonics and second harmonic generation (SHG) applications. Dielectric and photoconductivity studies revealed the stable electrical behavior, including frequency-dependent polarization and enhanced conductivity under light exposure. Impedance spectroscopy yielded a charge transfer resistance of 961.43 Ω, suggesting effective ionic mobility. Cyclic voltammetry demonstrated reversible redox activity with a peak potential of − 1.058 V and a total charge transfer of 184.51 μC. Third-order NLO properties, assessed through the Z-scan technique, revealed a nonlinear refractive index (n₂ =  − 3.687 × 10-11 m2/W), a nonlinear absorption coefficient (β =  − 2.071 × 10-4 m/W), and a third-order susceptibility (χ⁽3⁾ = 5.334 × 10-8 esu). Closed aperture measurements indicated a self-defocusing effect, while open-aperture analysis confirmed reverse saturable absorption behavior. These optical nonlinearities establish CuSO4·5H2O as a promising material for advanced applications in photonics, optoelectronics, and nonlinear optics.