Research Article

First-Principles Study on Various Point Defects Formed by Hydrogen and Helium Atoms in Tungsten

Table 2

Summary of the formation energy of the single defect in W.

Configuration

This paper0.965−2.327−2.0345.0596.3656.583
Cal. [1]0.92−2.47−2.075.006.236.48
Cal. [20, 21]0.78−2.44−2.064.706.166.38