Search results for "Modeling equation"

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Band Gap Modeling of Different Ternary and Quaternary Alumina Garnet Phases Y3(AlXGa1-X)5O12 (YAGG) and Lu3(AlXGa1-X)5O12 (LuAGG). A Semiempirical Ap…

2022

A further generalization to quaternary oxide systems of the modeling equation of optical band gap values, based on the semiempirical correlation between the differences in the electronegativity of oxygen and the average cationic electronegativity, proposed some years ago, has been carried out by expanding the approach recently employed for ternary mixed oxides. The choice of oxide polymorphs and their influence on the fitting procedure of an experimental data set is evidenced by a detailed discussion of the fitting process of the literature's experimental band gap data pertaining two quaternary oxide systems of the garnet family, namely, Y3(AlxGa1-x)5O12 (YAGG) and Lu3(AlxGa1-x)5O12 (LuAGG)…

Modeling equationGarnetSemi-empirical approachAluminaExcitonic effectAluminum oxideValue-based Energy gapElectronegativitySettore ING-IND/23 - Chimica Fisica ApplicataOptical correlation Band-gap valueDensity functional theoryQuaternary oxideSemi-empirical correlationChemical bondOxide systemGeneralisationGap model
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