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Abstract

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Science Group Research Article Article ID: igmin207

Modeling of Cr3+ doped Cassiterite (SnO2) Single Crystals

Computational Biology Physical ChemistrySpectroscopyInorganic Chemistry
Maroj Bharati 1 ,
Vikram Singh 1 and
Ram Kripal * 2
Affiliation

Affiliation

    Department of Physics, Nehru Gram Bharti (DU), Jamunipur, Prayagraj, India

    Department of Physics, Nehru Gram Bharti (DU), Jamunipur, Prayagraj, India

    EPR Laboratory, Department of Physics, University of Allahabad, Prayagraj-211002, India

    EPR Laboratory, Department of Physics, University of Allahabad, Prayagraj-211002, India

DOI10.61927/igmin207 Fulltext HTML Fulltext PDF Cite this article
DOI10.61927/igmin207 Fulltext HTML Fulltext PDF Cite this article

Abstract

Using the superposition model, the crystal field and zero-field splitting parameters of Cr3+ doped cassiterite (tin oxide), SnO2 single crystals are computed. For calculations, the appropriate locations for Cr3+ ions in SnO2 with distortion are taken into account. The experimental values and the zero-field splitting parameters in theory with local distortion agree fairly well. Using the Crystal Field Analysis Program and crystal field parameters, the optical energy bands for Cr3+ in SnO2 are calculated. The findings indicate that in SnO2 single crystals, one of the Sn4+ ions is replaced by Cr3+ ions.

Figures

The crystal structure of SnO2 together with the symmetry-adopted axis system (SAAS). Figure 1: The crystal structure of SnO2 together with the sy...
Visual depiction of the local environment (dotted circles show positions after distortion). Figure 2: Visual depiction of the local environment (dotted ...

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