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Showing 2021 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2021★ 1 cited
Investigations on Cmc2-SiPX structures and physical properties by first-principles calculations
R. Yang, X. Gao, F. Wu +2
The new structures, Cmc2-SiPX (X=S, Se, Te, and Po), are predicted, and their mechanical, electronic and optical properties are investigated with the density functional…
cond-mat.mtrl-sci2021★ 18 cited
A new 2D auxetic CN2 nanostructure with high energy density and mechanical strength
Qun Wei, Ying Yang, Alexander Gavrilov +1
The existence of a new two dimensional CN2 structure was predicted using ab-initio molecular dynamics (AIMD) and density-functional theory calculations. It consists tetragonal and…