2022
DOI: 10.1002/qua.26922
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Exploring the electronic, mechanical, anisotropic, and optical properties of ternary silicides TM2Si2Ys (TM = Cu, Ir, Os, Pt, Pd, Rh, Ru) from a first principles investigations

Abstract: In recent years, the rare earth metal silicon-based materials have attracted much attention. In order to accurately comprehend the application of rare earth silicides, we investigated the physical properties of the tetragonal TM 2 Si 2 Ys (TM = Cu, Ir, Os, Pt, Pd, Rh, Ru), orthogonal SiY, hexagonal Si 2 Y, and Si 3 Y 5 compounds. The structural stability, electronic properties, elastic anisotropy, and optical properties of these silicides are investigated using the first-principles calculations. The enthalpy o… Show more

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Cited by 4 publications
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