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Structural Studies and Valence Band Splitting Parameters in Ordered Vacancy Compound AgGa7Se12

The threefold absorption in the fundamental absorption region of the ternary chalcopyrite AgGa7Se12, an ordered defect compound of AgGaSe2, is analyzed to elucidate the three closely spaced band gaps in its valence band due to the lifting of degeneracy of the Γ15 level. Hopfield’s quasi cubic model is employed to extract the crystal-field and spin–orbit splitting parameters and the linear hybridisation of orbitals model for evaluating the percentage contribution of Ag d-orbital and Ga and Se p-orbitals to the p–d hybridization of orbitals. The observed optical properties are correlated with the structural parameters like deformation parameter, anion displacement and anion–cation bond lengths that are deduced from X-ray diffraction data. The compound films for the studies are prepared by a modified form of Gunther’s three temperature technique and the compositional analysis was done by energy dispersive analysis of X-rays. X-ray photoelectron spectroscopy confirms the compound formation while atomic force microscopic technique was used for surface morphological analysis. The electrical resistivity of these n-type semi-conducting films is assessed to be ~5 Ωm and the films are found to be photosensitive.

Authors:   Rajani Jacob, R. Geethu, T. Shripathi, V. Ganesan, U. P. Deshpande, Shilpa Tripathi, B. Pradeep, Rachel Reena Philip
Journal:   Journal of Inorganic and Organometallic Polymers and Materials
Year:   2012
Pages:   1
DOI:   10.1007/s10904-012-9799-0
Publication date:   25-Nov-2012
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