Abstract
Recent experimental data on the symmetry of the dominant phonons at the neutral vacancy in diamond are used to obtain an Exe Jahn-Teller relaxation energy of 100 meV in the ground electronic state, and less than 10 meV in the Tx(e+t) excited vibronic manifold. These energies cannot be predicted from stress perturbations using simple cluster techniques. Various methods of calculating the higher order Exe coupling from experimental data give the higher order parameter β/α ≅ -1 but with a significant spread. Isotope shifts of zero-phonon lines in Si are used to illustrate one flaw with single-mode models: quadratic electron-phonon coupling need not arise from the same modes as those giving linear coupling. However, used qualitatively, uniaxial stress data can give a guide to defect deformations, as shown for the 790 meV centre in Si.
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