Auflistung Nach Schlagwort "Crystal atomic structure"
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The (Ns)2(Oi)n (n=1,2) defect in Si from a Density Functional Theory perspective
(2022)Nitrogen constitutes a significant defect in silicon (Si) as it can affect its mechanical properties. Substitutional nitrogen defects can be created from interstitial nitrogen defects during cooling of the crystal. In turn, ... -
Theoretical investigation of nitrogen-vacancy defects in silicon
(2022)Nitrogen-vacancy defects are important for the material properties of silicon and for the performance of silicon-based devices. Here, we employ spin polarized density functional theory to calculate the minimum energy ...