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 sketch map for He at different interstitial sites in η-Fe₂C. Green and red spheres represent the Fe and C atoms, respectively. The blue spheres denote different interstitial sites. Here, T1, T2, and T3 represent the tetrahedral interstices and O1 and O2 represent the octahedral interstices. The Fe atoms are distinguished by A, B, C, D, E, F, G, H, I, J, K, and L. The primitive cell of η-Fe₂C is enclosed by the black lines.