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- W4385623315 abstract "The rubidium rare-earth selenides RbLnSe2 (Ln = Sm, Tb, Ho, Er) properties study are carried out for the first time using the LCAO-DFT method. The electronic structure reveals that these crystals are semiconductors with an indirect bandgap between 2.161 eV and 2.276 eV. The ε1(0) values along [100] and [001] directions for RbLnSe2 compounds are higher, making them a promising candidate in optoelectronic devices. These selenides have a low reflectivity in the visible, allowing them to be useful in the transparent coatings. The elastic properties illustrate that our compounds are mechanically stable and elastically anisotropic. The key mechanical characteristic of a solid is its brittle/ductile behavior, which is related to its resistance to fracture. Our predictions indicate that, RbSmSe2 is a ductile material, whilst RbTbSe2, RbHoSe2 and RbErSe2 are close to the boundary between brittle and ductile. Finally, RbLnSe2 selenides show lower thermal conductivity, a signature of smaller melting conductivity." @default.
- W4385623315 created "2023-08-08" @default.
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- W4385623315 date "2023-11-01" @default.
- W4385623315 modified "2023-10-01" @default.
- W4385623315 title "Structural, electronic, elastic and optical properties of RbLnSe2 (Ln = Sm, Tb, Ho, Er): Ab initio study" @default.
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- W4385623315 doi "https://doi.org/10.1016/j.jssc.2023.124237" @default.
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