The Dynamic Jahn‐Teller Effect of Cubic ZnS:Cu²⁺‐ Attempt of Coupling to T₂ Modes

Abstract

In a foregoing paper (1) two of the authors discussed in detail the interpretation centres in cubic ZnS. The complicated emis-2+ of the optical vibronic spectra of Cu sion spectrum with many narrow lines can be understood in t e r m s of a dynamic Jahn- The introduction of an additional coupling to T 2 vibrational modes of comparable centre in CaO (4).+ strength seems to be crucial as experimentally verified for the F This is a very elaborate computational problem. In the present paper we therefore first treat the centre with more coupling to T 2 modes but, in contrast to (5).with simultaneous diagonalization of the Jahn-Teller and spin-orbit Hamiltonians.We were able to take up to 5 phonons into account so that energy matrices with maximum dimension of 56 result (dimension of the matrix without group-theoretical reduction is 336). The Jahn-Teller Hamiltonian was taken linear in the lattice and 1) Present address: AEG-TFK-Forschungsinstitut Frankfurt/Main.

Nonlinear Zeeman behavior ofCu2+centers in ZnS and CdS explained by a Jahn-Teller effect

“…[1][2][3][4][5][6][7][8] Optical transitions between the localized d states of the impurity ion at the cation site are characterized not only by crystal-field splitting and spin-orbit coupling, but also by electron-phonon coupling. Interpretations of these spectra, using simple models for the Jahn-Teller effect, were discussed controversially up to now, and especially the Zeeman behavior was not understood, partly because of insufficient experimental data, and partly because of restricted theoretical models.…”

Dynamic Jahn-Teller interaction withΓ5phonons in the ground state ofCu2+Colignon1, Mailleux2, Kartheuser3 et al. 1998Phys. Rev. B3010View full textAdd to dashboardCite

“…The only previous attempt to treat a JT coupling with a ⌫ 5 phonon is that of Sauer, Scherz, and Maier. 13 They considered a phonon of energy 200 cm Ϫ1 representing an average of phonon energies in ZnS but were unable to explain quantitatively all the observed transitions. A close examination of their results also shows that they neglected the JT coupling between the two ⌫ 8 states arising from ⌫ 4 ⌫ 8 and ⌫ 5 ⌫ 8 .…”