Near Surface Stoichiometry in UO₂: A Density Functional Theory Study

Table 3

Fitting parameters for defect formation energy as a function of distance to the surface.

	[eV]	[Å]	[Å^2]	[Å]
	3.77	9.33	−23.70	2.77
	0.017	−14.78	18.2	8.69