2008Journal of Sichuan Normal UniversityRequires access

Theoretical Calculations of Absorption Spectra for V~(2+) Ions in ZnS

Yi‐Yang Zhou

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Abstract

In this paper the Hamiltonian matrices for 3d3 ions in cubic crystal field are derived based on a molecular-orbital model,and the absorption spectra of V2+ ions ZnS are calculated.The good agreement between the present results and the experimental observations indicates that the contribution from the covalency factors and the Racah parameter A to the absorption spectra of V2+ ions in ZnS is important.In addition,a theoretical near-infrared line presented is in need of further test of experimental studies.

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In this paper the Hamiltonian matrices for 3d3 ions in cubic crystal field are derived based on a molecular-orbital model,and the absorption spectra of V2+ ions ZnS are calculated.The good agreement between the present results and the experimental observations indicates that the contribution from the covalency factors and the Racah parameter A to the absorption spectra of V2+ ions in ZnS is important.In addition,a theoretical near-infrared line presented is in need of further test of experimental studies.

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Available abstract

In this paper the Hamiltonian matrices for 3d3 ions in cubic crystal field are derived based on a molecular-orbital model,and the absorption spectra of V2+ ions ZnS are calculated.The good agreement between the present results and the experimental observations indicates that the contribution from the covalency factors and the Racah parameter A to the absorption spectra of V2+ ions in ZnS is important.In addition,a theoretical near-infrared line presented is in need of further test of experimental studies.

Key concepts: Ion, Spectral line, Absorption spectroscopy, Hamiltonian (control theory), Crystal (programming language), Absorption (acoustics), Chemistry, Infrared spectroscopy

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