Fig. 2 | npj Computational Materials

Fig. 2

From: The (eg ⊗ eu) ⊗ Eg product Jahn–Teller effect in the neutral group-IV vacancy quantum bits in diamond

Fig. 2

a Adiabatic potential energy surface of SiV(0) that shows product Jahn–Teller (pJT) effect in the excited state. We show the vertical absorption and luminescence with blue and red arrows, respectively, while the black arrow denotes the zero-phonon-line (ZPL) transition. We label the polaronic solutions by tilde in the excited state with energy gap of 6.7 meV. b Triplet states of SiV(0). c Geometry of the undistorted SiV(0) defect with D3d symmetry. We also depict the X and Y distortion paths of the Eg phonon mode that are quasi-localized on the six carbon atoms

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