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 optimized structures of He pairs with two interstitial He atoms (a), one He atom at the substitutional site and the other at the interstitial site (b) and two He atoms at the substitutional sites (c).