Fig. 4: Single-defect dephasing time. | npj Computational Materials

Fig. 4: Single-defect dephasing time.

From: Spin–spin interactions in defects in solids from mixed all-electron and pseudopotential first-principles calculations

Fig. 4: Single-defect dephasing time.

a Structure of the NV center in diamond (b) Histogram of A∣∣ (see text) for carbon atoms in a 4 × 4 × 4 NV-diamond supercell calculated using PAW and FE-AE methods. c Comparison of coherence times \({T}_{2}^{* }\) and T2 induced by weakly coupled nuclear-spin baths, predicted with hyperfine values from PAW (T2 PAW) and FE-AE (T2 FE) calculations. d Structure of the basal kh-VV in 4H–SiC. e Histogram of A∣∣ (see text) for silicon and carbon atoms in a 6 × 3 × 2 4H–SiC supercell with kh-VV in the middle calculated using PAW and FE-AE methods. f Comparison of coherence times \({T}_{2}^{* }\) and T2 of the basal divacancy at clock transition.

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