Jahn-Teller effect problems via ultrasonic experiments. Application to the impurity crystal CdSe:Cr

Jahn - Teller Effect in Diamond - like Carbon

The Jahn-Teller effect used semi-theoretically to analyse UV-visible spectra of the diamond like-carbon films on Si substrates. By deconvolution of UV-visible absorption spectra of the typical films, different absorption lines found. For each sample, six lines which were related to V • by Jahn-Teller effect are distinguished. Our theoretical approach based on distortion of the V • as the conseq...

Jahn-Teller effect in the augmented Hubbard model

We investigate the effects induced by the interplay of microscopic degrees of freedom. In many cases, one has to consider spin and orbital degeneracy to explain complex structures of magnetic and orbital order. Frequently, attention is focused on electronic correlations. We study how the interaction of electrons with lattice degrees of freedom modifies the pure electronic case. Because of orbit...

PBE+U calculations of the Jahn-Teller effect in PrO2

The Jahn-Teller distortion in praseodymium dioxide PrO2 has been studied using density functional theory with the PBE+U functional for the exchange-correlation energy. Various possible distortions were suggested based on recent neutron diffraction experiments C. H. Gardiner et al., Phys. Rev. B 70, 024415 2004 . We could identify the most likely distorted structure with a magnitude of the disto...

6 Crystal - Field Theory , Tight - Binding Method and Jahn - Teller Effect

Jahn-Teller distortions and the supershell effect in metal nanowires.

A stability analysis of metal nanowires shows that a Jahn-Teller deformation breaking cylindrical symmetry can be energetically favorable, leading to stable nanowires with elliptic cross sections. The sequence of stable cylindrical and elliptical nanowires allows for a consistent interpretation of experimental conductance histograms for alkali metals, including both the electronic shell and sup...