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Abstract
New experimental results supported by theoretical analyses are proposed for aluminum silicon carbide (Al4SiC4). A state of the art implementation of the density functional theory is used to analyze the experimental crystal structure, the Born charges, the elastic properties, and the piezoelectric properties. The Born charge tensor is correlated to the local bonding environment for each atom. The electronic band structure is computed including self-consistent many-body corrections. Al4SiC4 material properties are compared to other wide band gap wurtzite materials. From a comparison between an ellipsometry study of the optical properties and theoretical results, we conclude that the Al4SiC4 material has indirect and direct band gap energies of about 2.5 eV and 3.2 eV, respectively.
Highlights
New experimental results supported by theoretical analyses are proposed for aluminum silicon carbide (Al4SiC4)
Al4SiC4 material properties are compared to other wide band gap wurtzite materials
Aluminum silicon carbide alloys are poised to set off such innovations, leading potentially to transparent conductive oxides (TCOs), aluminum silicon carbon based LED, wide band gap optoelectronics, attractive mechanical properties, and high temperature operation for electronics
Summary
New experimental results supported by theoretical analyses are proposed for aluminum silicon carbide (Al4SiC4). From a comparison between an ellipsometry study of the optical properties and theoretical results, we conclude that the Al4SiC4 material has indirect and direct band gap energies of about 2.5 eV and 3.2 eV, respectively.
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