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Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.153495
Abstract: Abstract Geometries and electronic properties of Eu12 and (EuX)12 (X = N, O, and S) cages with D2h symmetry are investigated by first-principles density functional theory with Perdew-Burke-Ernzerhof exchange-correlation. The calculated total magnetic moments of stable (EuX)12…
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Keywords:
eux clusters;
magnetic moments;
eu12 eux;
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