Fig. 2: Comparison of experimental and theoretical hyperfine parameters.
From: Accurate hyperfine tensors for solid state quantum applications: case of the NV center in diamond
a Experimental data sets of hyperfine parameters reported in ref. 18 (data set I), in ref. 19 (data set II.), and in ref. 23 (data set III). Gray columns depict the measured hyperfine parameters, Az for data set I and Azz for data sets II and III. The red bars depict the absolute error of the measurements. b Absolute relative error (ARE) of the calculated hyperfine values showing increasing error due to finite-size effects. Blue columns with squares and red columns with circles depict the ARE of calculations with supercells containing respectively 512-, and 1728 atomic positions. When no bars are depicted for certain elements of the data sets, the corresponding nuclei site is outside the supercell used for the calculations. Value 1 on the y-scale corresponds to a 100% absolute percentage error.
