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Abstract <p>Crystal field and zero field splitting parameters of Cr<sup>3+</sup> doped titanium oxide, TiO<sub>2</sub> (Rutile) single crystals are calculated employing superposition model. The appropriate sites for Cr<sup>3+</sup> ions in TiO<sub>2</sub> with distortion are taken up for calculation. Splitting parameters of zero fields in theory with local distortion match comparatively well with the values found from the experiment. The optical energy bands for Cr<sup>3+</sup> in TiO<sub>2</sub> are estimated with the Crystal Field Analysis Program and parameters of the crystal field. The results suggest that Cr<sup>3+</sup> ions substitute for one of the Ti<sup>4+</sup> ions in TiO<sub>2</sub> single crystals.</p>

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Modeling of Cr3+ Doped TiO2 (Rutile) Single Crystals

  • 期刊论文

  • 发表日期：

    2025年8月1日

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  • M. Bharati,
  • V. Singh,
  • R. Kripal

摘要

Abstract

Crystal field and zero field splitting parameters of Cr3+ doped titanium oxide, TiO2 (Rutile) single crystals are calculated employing superposition model. The appropriate sites for Cr3+ ions in TiO2 with distortion are taken up for calculation. Splitting parameters of zero fields in theory with local distortion match comparatively well with the values found from the experiment. The optical energy bands for Cr3+ in TiO2 are estimated with the Crystal Field Analysis Program and parameters of the crystal field. The results suggest that Cr3+ ions substitute for one of the Ti4+ ions in TiO2 single crystals.