First-principles study of He trapping in <italic>η</italic>-Fe<sub>2</sub>C

First-principles study of He trapping in η-Fe₂C

He Bing-Ling^{1, †,}, Wang Jin-Long¹, Tian Zhi-Xue², Jiang Li-Juan¹, Song Wei¹, Wang Bin¹

The calculated total valence charge densities for (a) the (001) plane with He at the substitutional site, (b) the plane with a sub–int He pair, (c) the plane with a sub–sub He pair and (d) the (001) plane of the transition state of He diffusion. Lines start from 0.01e/a.u.³, and increase successively by a factor of 10^1/5.