Найдено научных статей и публикаций: 1, для научной тематики: Activation energy
1.
E.A. Kotomin, M.M. Kuklja, R.I. Eglitis, A.I. Popov
- Materials Science and Engineering B , 1996
Semiempirical quantum chemical simulations have been undertaken to obtain the self-consistent atomic and electronic structure of the two basic electron defects in MgO crystals: F+ and F centres (one and two electrons trapped by an O vacancy, Va. The calculated absorption and luminescence energies ag...
Semiempirical quantum chemical simulations have been undertaken to obtain the self-consistent atomic and electronic structure of the two basic electron defects in MgO crystals: F+ and F centres (one and two electrons trapped by an O vacancy, Va. The calculated absorption and luminescence energies agree well with the experimental data; the excited states of both defects are found to be essentially delocalised over nearest-neighbour cations. The activation energy for diffusion is found to increase monotonically in a series Va → F+ → F centre (2.50eV, 2.72 eV and 3.13 eV, respectively).
Materials Science and Engineering B
Volume 37, Issues 1-3, February 1996, Pages 212-214