Elastic and optical properties of sillenites: First principle calculations
نویسندگان
چکیده
منابع مشابه
First-principles calculations of the structural, electronic, optical and elastic properties of the CuYS2 semiconductor.
The ternary semiconductor CuYS2 is studied by using the first-principles methods in the density functional theory (DFT) framework. The structural, electronic, optical and elastic properties were calculated at the ambient and elevated hydrostatic pressures. The compound was shown to have an indirect band gap of about 1.342/1.389 eV (in the generalized gradient and local density approximations, r...
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ژورنال
عنوان ژورنال: Ferroelectrics
سال: 2020
ISSN: 0015-0193
DOI: 10.1080/00150193.2020.1713354