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Published in 2020 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2020.e00505
Abstract: Abstract In this study, first-principles calculations are performed to study the structural, electronic, and optical properties of the ternary TlxGa1-xAs alloys in the cubic structure. It is argued that, among four investigated density functionals, the…
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Keywords:
initio calculation;
tlxga1 xas;
structural electronic;
optical properties ... See more keywords